2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide

C24H30N4O5 — CID 110200188

IUPAC2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCCCNC(=O)CC2c2ccccc2)c(OC)n1
InChIInChI=1S/C24H30N4O5/c1-32-21-12-11-18(24(27-21)33-2)23(31)26-16-22(30)28-14-8-4-7-13-25-20(29)15-19(28)17-9-5-3-6-10-17/h3,5-6,9-12,19H,4,7-8,13-16H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyRCQFSIJYTMONRW-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.09
Rot. Bonds6

About 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide

2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 110200188) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID110200188
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCCCNC(=O)CC2c2ccccc2)c(OC)n1
InChIInChI=1S/C24H30N4O5/c1-32-21-12-11-18(24(27-21)33-2)23(31)26-16-22(30)28-14-8-4-7-13-25-20(29)15-19(28)17-9-5-3-6-10-17/h3,5-6,9-12,19H,4,7-8,13-16H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyRCQFSIJYTMONRW-UHFFFAOYSA-N
XLogP2.09
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
CID 110200186
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-1H-indole-2-carboxamide
CID 110200196
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200267
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200203
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide (CID 110200188) is 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCC(=O)N2CCCCCNC(=O)CC2c2ccccc2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is RCQFSIJYTMONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-32-21-12-11-18(24(27-21)33-2)23(31)26-16-22(30)28-14-8-4-7-13-25-20(29)15-19(28)17-9-5-3-6-10-17/h3,5-6,9-12,19H,4,7-8,13-16H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110200188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).