2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

C19H21ClN4O2 — CID 86923565

IUPAC2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H21ClN4O2/c20-16-7-8-17(21-13-16)22-18(25)14-23-9-4-10-24(12-11-23)19(26)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,21,22,25)
InChIKeyJRSWVQNCCCUALO-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 86923565) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID86923565
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H21ClN4O2/c20-16-7-8-17(21-13-16)22-18(25)14-23-9-4-10-24(12-11-23)19(26)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,21,22,25)
InChIKeyJRSWVQNCCCUALO-UHFFFAOYSA-N
XLogP2.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzoylpiperidin-4-yl)-N'-(5-chloro-2-pyridinyl)oxamide
CID 142691795
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
N-(5-chloro-2-pyridinyl)-2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22196762
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20972511
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (CID 86923565) is 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1CCCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is JRSWVQNCCCUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-7-8-17(21-13-16)22-18(25)14-23-9-4-10-24(12-11-23)19(26)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,21,22,25).
What are the key properties of 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 372.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 86923565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).