N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide

C16H23N3O4 — CID 163305963

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCC(O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H23N3O4/c20-13(12-5-4-6-15(22)18-12)11-17-14(21)8-10-19-9-3-1-2-7-16(19)23/h4-6,13,20H,1-3,7-11H2,(H,17,21)(H,18,22)
InChIKeyDBAZZCSZAIQUCM-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.32
Rot. Bonds6

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 163305963) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID163305963
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCC(O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H23N3O4/c20-13(12-5-4-6-15(22)18-12)11-17-14(21)8-10-19-9-3-1-2-7-16(19)23/h4-6,13,20H,1-3,7-11H2,(H,17,21)(H,18,22)
InChIKeyDBAZZCSZAIQUCM-UHFFFAOYSA-N
XLogP0.32
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
CID 163315890
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CID 111452400
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
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N-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 125442025
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131926036
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
N-[[1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131940270
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131911007

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide (CID 163305963) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide is O=C(CCN1CCCCCC1=O)NCC(O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is DBAZZCSZAIQUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-13(12-5-4-6-15(22)18-12)11-17-14(21)8-10-19-9-3-1-2-7-16(19)23/h4-6,13,20H,1-3,7-11H2,(H,17,21)(H,18,22).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 163305963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).