N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C24H28N6O4 — CID 22293290

IUPACN-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESO=C1NCC(c2ccc(O)cc2)CCC1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C24H28N6O4/c31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)
InChIKeyVBVQWORFXCWYDA-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.84
Rot. Bonds3

About N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 22293290) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID22293290
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESO=C1NCC(c2ccc(O)cc2)CCC1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C24H28N6O4/c31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34)
InChIKeyVBVQWORFXCWYDA-UHFFFAOYSA-N
XLogP1.84
TPSA132.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 44345783
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
N-[5-(4-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848646
N-[5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848855
N-[5-(4-hydroxyphenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11849020
N-[(3R)-6-(4-Hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 23656587
N-[5-(3-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 44455153
4-[5-(4-hydroxyphenyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 136042299
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750623
N-[(4-Hydroxy-phenyl)-isopropylcarbamoyl-methyl]-N'-pyridin-2-yl-N-o-tolyl-succinamide
CID 651437
N-[(4-Hydroxy-phenyl)-isopropylcarbamoyl-methyl]-N'-pyridin-2-yl-N-m-tolyl-succinamide
CID 655399
N-[(3R,6S)-1-(cyclopropylmethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11168000

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 22293290) is N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is O=C1NCC(c2ccc(O)cc2)CCC1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is VBVQWORFXCWYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c31-18-6-3-15(4-7-18)16-5-8-19(22(32)26-14-16)27-23(33)29-12-9-17(10-13-29)30-20-2-1-11-25-21(20)28-24(30)34/h1-4,6-7,11,16-17,19,31H,5,8-10,12-14H2,(H,26,32)(H,27,33)(H,25,28,34).
What are the key properties of N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 22293290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).