azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone

C20H25N3O — CID 109241222

IUPACazepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1ccc(C)c(Nc2cncc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-15-7-8-16(2)19(11-15)22-18-12-17(13-21-14-18)20(24)23-9-5-3-4-6-10-23/h7-8,11-14,22H,3-6,9-10H2,1-2H3
InChIKeyVBPVJMQHLNVQLG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.46
Rot. Bonds3

About azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone

azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone (PubChem CID 109241222) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
PubChem CID109241222
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Nameazepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
SMILESCc1ccc(C)c(Nc2cncc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-15-7-8-16(2)19(11-15)22-18-12-17(13-21-14-18)20(24)23-9-5-3-4-6-10-23/h7-8,11-14,22H,3-6,9-10H2,1-2H3
InChIKeyVBPVJMQHLNVQLG-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze azepan-1-yl-[5-(2,5-dimethylanilino)-3-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

[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225589
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230137
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
methyl 3-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]-4-chlorobenzoate
CID 109241274
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone (CID 109241222) is azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone is Cc1ccc(C)c(Nc2cncc(C(=O)N3CCCCCC3)c2)c1.
What is the InChIKey of azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone?
The InChIKey is VBPVJMQHLNVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-8-16(2)19(11-15)22-18-12-17(13-21-14-18)20(24)23-9-5-3-4-6-10-23/h7-8,11-14,22H,3-6,9-10H2,1-2H3.
What are the key properties of azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone?
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone has a molecular weight of 323.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109241222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).