N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide

C30H26FN3O2 — CID 145206929

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1cc(C(=O)c3cccc(F)c3)ccc1C2
InChIInChI=1S/C30H26FN3O2/c1-17-10-28(32)34-18(2)27(17)16-33-30(36)23-9-7-20-11-19-6-8-22(12-24(19)14-25(20)13-23)29(35)21-4-3-5-26(31)15-21/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,32,34)(H,33,36)
InChIKeyJWBRMQWOZPETKW-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.08
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide (PubChem CID 145206929) has the molecular formula C30H26FN3O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide
PubChem CID145206929
Molecular FormulaC30H26FN3O2
Molecular Weight479.56 g/mol
Exact Mass479.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1cc(C(=O)c3cccc(F)c3)ccc1C2
InChIInChI=1S/C30H26FN3O2/c1-17-10-28(32)34-18(2)27(17)16-33-30(36)23-9-7-20-11-19-6-8-22(12-24(19)14-25(20)13-23)29(35)21-4-3-5-26(31)15-21/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,32,34)(H,33,36)
InChIKeyJWBRMQWOZPETKW-UHFFFAOYSA-N
XLogP5.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide;ethane;methanamine
CID 145206990
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11,12-dicyclopropyl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;2,2,2-trifluoroacetic acid
CID 172856690
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-fluoropyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 140757456
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-11-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-(5-chloro-2-fluorophenyl)-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 159343923
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide (CID 145206929) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccc2c(c1)Cc1cc(C(=O)c3cccc(F)c3)ccc1C2.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide?
The InChIKey is JWBRMQWOZPETKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O2/c1-17-10-28(32)34-18(2)27(17)16-33-30(36)23-9-7-20-11-19-6-8-22(12-24(19)14-25(20)13-23)29(35)21-4-3-5-26(31)15-21/h3-10,12-13,15H,11,14,16H2,1-2H3,(H2,32,34)(H,33,36).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(3-fluorobenzoyl)-9,10-dihydroanthracene-2-carboxamide is sourced from PubChem (CID 145206929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).