2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide

C20H24N4O2 — CID 118772558

IUPAC2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCC1CNC(=O)CCN1C(=O)Nc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C20H24N4O2/c1-15-14-22-19(25)11-13-24(15)20(26)23-18-9-6-16(7-10-18)5-8-17-4-2-3-12-21-17/h2-4,6-7,9-10,12,15H,5,8,11,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyVWRYKJVICXTFND-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide

2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 118772558) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID118772558
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCC1CNC(=O)CCN1C(=O)Nc1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C20H24N4O2/c1-15-14-22-19(25)11-13-24(15)20(26)23-18-9-6-16(7-10-18)5-8-17-4-2-3-12-21-17/h2-4,6-7,9-10,12,15H,5,8,11,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyVWRYKJVICXTFND-UHFFFAOYSA-N
XLogP2.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-pyridin-2-ylethyl)phenyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 156607956
(2R)-2-methyl-5-oxo-N-[4-(thiophen-2-ylmethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 125163580
(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97443503
(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 97454486
(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 126439599
(2S)-2-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]phenyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 97435617
(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 126432480
(2R)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 125164719
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 87010519
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 91837017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide (CID 118772558) is 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide is CC1CNC(=O)CCN1C(=O)Nc1ccc(CCc2ccccn2)cc1.
What is the InChIKey of 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is VWRYKJVICXTFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-14-22-19(25)11-13-24(15)20(26)23-18-9-6-16(7-10-18)5-8-17-4-2-3-12-21-17/h2-4,6-7,9-10,12,15H,5,8,11,13-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide?
2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 118772558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).