N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide

C25H25ClN4O2 — CID 46053238

IUPACN-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C25H25ClN4O2/c26-21-9-7-20(8-10-21)25(32)30-14-4-13-29(15-16-30)23-12-11-22(18-27-23)28-24(31)17-19-5-2-1-3-6-19/h1-3,5-12,18H,4,13-17H2,(H,28,31)
InChIKeyFFDYPRHJQHKPIZ-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.27
Rot. Bonds5

About N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide

N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 46053238) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID46053238
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC NameN-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C25H25ClN4O2/c26-21-9-7-20(8-10-21)25(32)30-14-4-13-29(15-16-30)23-12-11-22(18-27-23)28-24(31)17-19-5-2-1-3-6-19/h1-3,5-12,18H,4,13-17H2,(H,28,31)
InChIKeyFFDYPRHJQHKPIZ-UHFFFAOYSA-N
XLogP4.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 42849885
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
2-phenoxy-N-[6-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]-3-pyridinyl]acetamide
CID 46053391
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 46053309
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103
N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 42857905
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide (CID 46053238) is N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is FFDYPRHJQHKPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-21-9-7-20(8-10-21)25(32)30-14-4-13-29(15-16-30)23-12-11-22(18-27-23)28-24(31)17-19-5-2-1-3-6-19/h1-3,5-12,18H,4,13-17H2,(H,28,31).
What are the key properties of N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide?
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 448.95 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 46053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).