N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C24H24N6O3 — CID 11495985

IUPACN-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C24H24N6O3/c1-28-15-17(16-6-3-2-4-7-16)14-19(22(28)31)26-23(32)29-12-9-18(10-13-29)30-20-8-5-11-25-21(20)27-24(30)33/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,26,32)(H,25,27,33)
InChIKeyANGZYJHVTPDSFK-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.96
Rot. Bonds3

About N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11495985) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11495985
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C24H24N6O3/c1-28-15-17(16-6-3-2-4-7-16)14-19(22(28)31)26-23(32)29-12-9-18(10-13-29)30-20-8-5-11-25-21(20)27-24(30)33/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,26,32)(H,25,27,33)
InChIKeyANGZYJHVTPDSFK-UHFFFAOYSA-N
XLogP2.96
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11495985) is N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is Cn1cc(-c2ccccc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is ANGZYJHVTPDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-28-15-17(16-6-3-2-4-7-16)14-19(22(28)31)26-23(32)29-12-9-18(10-13-29)30-20-8-5-11-25-21(20)27-24(30)33/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,26,32)(H,25,27,33).
What are the key properties of N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-5-phenyl-3-pyridinyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11495985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).