azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone

C20H25N3O — CID 109210082

IUPACazepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
SMILESCc1ccccc1CNc1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H25N3O/c1-16-8-4-5-9-17(16)15-22-18-10-11-21-19(14-18)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,21,22)
InChIKeyKLGBFUOGPDAGQU-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.02
Rot. Bonds4

About azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone

azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone (PubChem CID 109210082) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
PubChem CID109210082
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Nameazepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
SMILESCc1ccccc1CNc1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H25N3O/c1-16-8-4-5-9-17(16)15-22-18-10-11-21-19(14-18)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,21,22)
InChIKeyKLGBFUOGPDAGQU-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone 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

azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
2-hydroxy-N-methyl-3-[[2-(piperidine-1-carbonyl)-4-pyridinyl]amino]propanamide
CID 146106337
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
CID 109216956
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186259
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210134

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone (CID 109210082) is azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone is Cc1ccccc1CNc1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone?
The InChIKey is KLGBFUOGPDAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-8-4-5-9-17(16)15-22-18-10-11-21-19(14-18)20(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,21,22).
What are the key properties of azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone?
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone has a molecular weight of 323.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109210082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).