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

C25H26N6O4 — CID 11848755

IUPACN-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c(=O)n(C)c2)cc1
InChIInChI=1S/C25H26N6O4/c1-29-15-17(16-5-7-19(35-2)8-6-16)14-20(23(29)32)27-24(33)30-12-9-18(10-13-30)31-21-4-3-11-26-22(21)28-25(31)34/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,27,33)(H,26,28,34)
InChIKeyDIKUASZNXNXSOM-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.97
Rot. Bonds4

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

N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848755) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848755
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c(=O)n(C)c2)cc1
InChIInChI=1S/C25H26N6O4/c1-29-15-17(16-5-7-19(35-2)8-6-16)14-20(23(29)32)27-24(33)30-12-9-18(10-13-30)31-21-4-3-11-26-22(21)28-25(31)34/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,27,33)(H,26,28,34)
InChIKeyDIKUASZNXNXSOM-UHFFFAOYSA-N
XLogP2.97
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848755) is N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COc1ccc(-c2cc(NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)c(=O)n(C)c2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is DIKUASZNXNXSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-29-15-17(16-5-7-19(35-2)8-6-16)14-20(23(29)32)27-24(33)30-12-9-18(10-13-30)31-21-4-3-11-26-22(21)28-25(31)34/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,27,33)(H,26,28,34).
What are the key properties of N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11848755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).