N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide

C26H29N3O — CID 113015896

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C26H29N3O/c30-26(19-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22)28-23-15-16-25(27-20-23)29-17-9-1-2-10-18-29/h3-8,11-16,20,24H,1-2,9-10,17-19H2,(H,28,30)
InChIKeyASUJZDRCHMECCS-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.62
Rot. Bonds6

About N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide

N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide (PubChem CID 113015896) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
PubChem CID113015896
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C26H29N3O/c30-26(19-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22)28-23-15-16-25(27-20-23)29-17-9-1-2-10-18-29/h3-8,11-16,20,24H,1-2,9-10,17-19H2,(H,28,30)
InChIKeyASUJZDRCHMECCS-UHFFFAOYSA-N
XLogP5.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
CID 26249276
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,3-diphenylpropanamide
CID 43991321
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740490
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide (CID 113015896) is N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide?
The InChIKey is ASUJZDRCHMECCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-26(19-24(21-11-5-3-6-12-21)22-13-7-4-8-14-22)28-23-15-16-25(27-20-23)29-17-9-1-2-10-18-29/h3-8,11-16,20,24H,1-2,9-10,17-19H2,(H,28,30).
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide?
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide has a molecular weight of 399.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 113015896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).