N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide

C146H150N20O8S — CID 158835227

IUPACN-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)(c1ccccc1)c1ccccc1.CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)c1ccc2c(c1)C(=O)c1ccccc1C2=O.CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)c1ccccc1.CC(C)(NC(=O)c1ccccn1)C1(CCNCc2ccccn2)c2ccccc2Oc2ccccc21.CC(C)(NC(=O)c1ccccn1)C1(CCNCc2ccccn2)c2ccccc2Sc2ccccc21
InChIInChI=1S/C32H30N4O3.C30H30N4O2.C30H30N4OS.C30H32N4O.C24H28N4O/c1-32(2,36-31(39)28-12-6-8-17-35-28)27(15-18-33-20-22-9-5-7-16-34-22)21-13-14-25-26(19-21)30(38)24-11-4-3-10-23(24)29(25)37;2*1-29(2,34-28(35)25-14-8-10-19-33-25)30(17-20-31-21-22-11-7-9-18-32-22)23-12-3-5-15-26(23)36-27-16-6-4-13-24(27)30;1-29(2,34-28(35)27-18-10-12-21-33-27)30(24-13-5-3-6-14-24,25-15-7-4-8-16-25)19-22-31-23-26-17-9-11-20-32-26;1-24(2,28-23(29)22-13-7-9-16-27-22)21(19-10-4-3-5-11-19)14-17-25-18-20-12-6-8-15-26-20/h3-14,16-17,19,27,33H,15,18,20H2,1-2H3,(H,36,39);2*3-16,18-19,31H,17,20-21H2,1-2H3,(H,34,35);3-18,20-21,31H,19,22-23H2,1-2H3,(H,34,35);3-13,15-16,21,25H,14,17-18H2,1-2H3,(H,28,29)
InChIKeyIXNWBVQMOGUCPK-UHFFFAOYSA-N
MW2345.00 g/mol
LogP24.70
Rot. Bonds44

About N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide

N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide (PubChem CID 158835227) has the molecular formula C146H150N20O8S and a molecular weight of 2345.00 g/mol. Its IUPAC name is N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide
PubChem CID158835227
Molecular FormulaC146H150N20O8S
Molecular Weight2345.00 g/mol
Exact Mass2343.17
IUPAC NameN-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)(c1ccccc1)c1ccccc1.CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)c1ccc2c(c1)C(=O)c1ccccc1C2=O.CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)c1ccccc1.CC(C)(NC(=O)c1ccccn1)C1(CCNCc2ccccn2)c2ccccc2Oc2ccccc21.CC(C)(NC(=O)c1ccccn1)C1(CCNCc2ccccn2)c2ccccc2Sc2ccccc21
InChIInChI=1S/C32H30N4O3.C30H30N4O2.C30H30N4OS.C30H32N4O.C24H28N4O/c1-32(2,36-31(39)28-12-6-8-17-35-28)27(15-18-33-20-22-9-5-7-16-34-22)21-13-14-25-26(19-21)30(38)24-11-4-3-10-23(24)29(25)37;2*1-29(2,34-28(35)25-14-8-10-19-33-25)30(17-20-31-21-22-11-7-9-18-32-22)23-12-3-5-15-26(23)36-27-16-6-4-13-24(27)30;1-29(2,34-28(35)27-18-10-12-21-33-27)30(24-13-5-3-6-14-24,25-15-7-4-8-16-25)19-22-31-23-26-17-9-11-20-32-26;1-24(2,28-23(29)22-13-7-9-16-27-22)21(19-10-4-3-5-11-19)14-17-25-18-20-12-6-8-15-26-20/h3-14,16-17,19,27,33H,15,18,20H2,1-2H3,(H,36,39);2*3-16,18-19,31H,17,20-21H2,1-2H3,(H,34,35);3-18,20-21,31H,19,22-23H2,1-2H3,(H,34,35);3-13,15-16,21,25H,14,17-18H2,1-2H3,(H,28,29)
InChIKeyIXNWBVQMOGUCPK-UHFFFAOYSA-N
XLogP24.70
TPSA377.92 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds44
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002345.00
LogP ≤ 524.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide (CID 158835227) is N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)(c1ccccc1)c1ccccc1.CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)c1ccc2c(c1)C(=O)c1ccccc1C2=O.CC(C)(NC(=O)c1ccccn1)C(CCNCc1ccccn1)c1ccccc1.CC(C)(NC(=O)c1ccccn1)C1(CCNCc2ccccn2)c2ccccc2Oc2ccccc21.CC(C)(NC(=O)c1ccccn1)C1(CCNCc2ccccn2)c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide?
The InChIKey is IXNWBVQMOGUCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O3.C30H30N4O2.C30H30N4OS.C30H32N4O.C24H28N4O/c1-32(2,36-31(39)28-12-6-8-17-35-28)27(15-18-33-20-22-9-5-7-16-34-22)21-13-14-25-26(19-21)30(38)24-11-4-3-10-23(24)29(25)37;2*1-29(2,34-28(35)25-14-8-10-19-33-25)30(17-20-31-21-22-11-7-9-18-32-22)23-12-3-5-15-26(23)36-27-16-6-4-13-24(27)30;1-29(2,34-28(35)27-18-10-12-21-33-27)30(24-13-5-3-6-14-24,25-15-7-4-8-16-25)19-22-31-23-26-17-9-11-20-32-26;1-24(2,28-23(29)22-13-7-9-16-27-22)21(19-10-4-3-5-11-19)14-17-25-18-20-12-6-8-15-26-20/h3-14,16-17,19,27,33H,15,18,20H2,1-2H3,(H,36,39);2*3-16,18-19,31H,17,20-21H2,1-2H3,(H,34,35);3-18,20-21,31H,19,22-23H2,1-2H3,(H,34,35);3-13,15-16,21,25H,14,17-18H2,1-2H3,(H,28,29).
What are the key properties of N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide?
N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide has a molecular weight of 2345.00 g/mol, XLogP of 24.70, 44 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-dioxoanthracen-2-yl)-2-methyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3,3-diphenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-methyl-3-phenyl-5-(pyridin-2-ylmethylamino)pentan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]thioxanthen-9-yl]propan-2-yl]pyridine-2-carboxamide;N-[2-[9-[2-(pyridin-2-ylmethylamino)ethyl]xanthen-9-yl]propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158835227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).