6-(4-phenylazepan-1-yl)pyridine-3-carboxamide

C18H21N3O — CID 166186710

IUPAC6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H21N3O/c19-18(22)16-8-9-17(20-13-16)21-11-4-7-15(10-12-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H2,19,22)
InChIKeyNZKGURKVFZYSCM-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.95
Rot. Bonds3

About 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide

6-(4-phenylazepan-1-yl)pyridine-3-carboxamide (PubChem CID 166186710) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
PubChem CID166186710
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H21N3O/c19-18(22)16-8-9-17(20-13-16)21-11-4-7-15(10-12-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H2,19,22)
InChIKeyNZKGURKVFZYSCM-UHFFFAOYSA-N
XLogP2.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide 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

[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 56714296
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
4-methyl-5-(4-phenylazepan-1-yl)-1,2,4-triazole-3-carboxamide
CID 167811448
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81048957
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide (CID 166186710) is 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide is NC(=O)c1ccc(N2CCCC(c3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is NZKGURKVFZYSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-18(22)16-8-9-17(20-13-16)21-11-4-7-15(10-12-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,13,15H,4,7,10-12H2,(H2,19,22).
What are the key properties of 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide?
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166186710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).