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

C24H24N6O4 — CID 11848645

IUPACN-[5-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCn1cc(-c2ccccc2O)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C24H24N6O4/c1-28-14-15(17-5-2-3-7-20(17)31)13-18(22(28)32)26-23(33)29-11-8-16(9-12-29)30-19-6-4-10-25-21(19)27-24(30)34/h2-7,10,13-14,16,31H,8-9,11-12H2,1H3,(H,26,33)(H,25,27,34)
InChIKeyOYXHTTOPLOXRLY-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.66
Rot. Bonds3

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

N-[5-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 11848645) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[5-(2-hydroxyphenyl)-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-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID11848645
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC NameN-[5-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCn1cc(-c2ccccc2O)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C24H24N6O4/c1-28-14-15(17-5-2-3-7-20(17)31)13-18(22(28)32)26-23(33)29-11-8-16(9-12-29)30-19-6-4-10-25-21(19)27-24(30)34/h2-7,10,13-14,16,31H,8-9,11-12H2,1H3,(H,26,33)(H,25,27,34)
InChIKeyOYXHTTOPLOXRLY-UHFFFAOYSA-N
XLogP2.66
TPSA125.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyphenyl)-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-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 11848645) is N-[5-(2-hydroxyphenyl)-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-(2-hydroxyphenyl)-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-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is Cn1cc(-c2ccccc2O)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of N-[5-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is OYXHTTOPLOXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-28-14-15(17-5-2-3-7-20(17)31)13-18(22(28)32)26-23(33)29-11-8-16(9-12-29)30-19-6-4-10-25-21(19)27-24(30)34/h2-7,10,13-14,16,31H,8-9,11-12H2,1H3,(H,26,33)(H,25,27,34).
What are the key properties of N-[5-(2-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[5-(2-hydroxyphenyl)-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 460.49 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyphenyl)-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 11848645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).