N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide

C20H20N4O2 — CID 129402957

IUPACN-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1
InChIInChI=1S/C20H20N4O2/c21-14-15-5-7-17(8-6-15)23-19(25)20(26)24-13-3-1-2-4-18(24)16-9-11-22-12-10-16/h5-12,18H,1-4,13H2,(H,23,25)/t18-/m1/s1
InChIKeyKRHPQMVUQSGLEK-GOSISDBHSA-N
MW348.41 g/mol
LogP3.04
Rot. Bonds2

About N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide

N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide (PubChem CID 129402957) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
PubChem CID129402957
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1
InChIInChI=1S/C20H20N4O2/c21-14-15-5-7-17(8-6-15)23-19(25)20(26)24-13-3-1-2-4-18(24)16-9-11-22-12-10-16/h5-12,18H,1-4,13H2,(H,23,25)/t18-/m1/s1
InChIKeyKRHPQMVUQSGLEK-GOSISDBHSA-N
XLogP3.04
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78896587
N-(4-methoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60552023
N-[1-amino-2-(methylamino)ethyl]-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 175636918
[(2S)-1,1-dioxothian-2-yl]-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 97352110
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2R)-N-(4-cyanophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343526
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033207
N-(4-cyanophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108519434

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide (CID 129402957) is N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide is N#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide?
The InChIKey is KRHPQMVUQSGLEK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-14-15-5-7-17(8-6-15)23-19(25)20(26)24-13-3-1-2-4-18(24)16-9-11-22-12-10-16/h5-12,18H,1-4,13H2,(H,23,25)/t18-/m1/s1.
What are the key properties of N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide?
N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide is sourced from PubChem (CID 129402957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).