4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide

C19H24N4O — CID 75441981

IUPAC4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)Nc2ccccc2-c2ccncc2)CC1
InChIInChI=1S/C19H24N4O/c1-2-22-12-5-13-23(15-14-22)19(24)21-18-7-4-3-6-17(18)16-8-10-20-11-9-16/h3-4,6-11H,2,5,12-15H2,1H3,(H,21,24)
InChIKeyGNUQNVRBVWWHKS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.31
Rot. Bonds3

About 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide

4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 75441981) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide
PubChem CID75441981
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)Nc2ccccc2-c2ccncc2)CC1
InChIInChI=1S/C19H24N4O/c1-2-22-12-5-13-23(15-14-22)19(24)21-18-7-4-3-6-17(18)16-8-10-20-11-9-16/h3-4,6-11H,2,5,12-15H2,1H3,(H,21,24)
InChIKeyGNUQNVRBVWWHKS-UHFFFAOYSA-N
XLogP3.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 23769406
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 23993903
N-(2-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 154837725
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 124615062
N-(2-iodophenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3710390
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
4-(2,2-difluoroethyl)-N-[2-(dimethylamino)phenyl]-1,4-diazepane-1-carboxamide
CID 75437516
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
N-(2-iodophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3802510

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide (CID 75441981) is 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide is CCN1CCCN(C(=O)Nc2ccccc2-c2ccncc2)CC1.
What is the InChIKey of 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is GNUQNVRBVWWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-22-12-5-13-23(15-14-22)19(24)21-18-7-4-3-6-17(18)16-8-10-20-11-9-16/h3-4,6-11H,2,5,12-15H2,1H3,(H,21,24).
What are the key properties of 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide?
4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 75441981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).