azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone

C24H32N4O — CID 109218600

IUPACazepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
SMILESCC1CCN(c2ccc(Nc3ccnc(C(=O)N4CCCCCC4)c3)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-19-11-16-27(17-12-19)22-8-6-20(7-9-22)26-21-10-13-25-23(18-21)24(29)28-14-4-2-3-5-15-28/h6-10,13,18-19H,2-5,11-12,14-17H2,1H3,(H,25,26)
InChIKeyBZYINLFSTQTXFK-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.08
Rot. Bonds4

About azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone

azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone (PubChem CID 109218600) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
PubChem CID109218600
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Nameazepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
SMILESCC1CCN(c2ccc(Nc3ccnc(C(=O)N4CCCCCC4)c3)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-19-11-16-27(17-12-19)22-8-6-20(7-9-22)26-21-10-13-25-23(18-21)24(29)28-14-4-2-3-5-15-28/h6-10,13,18-19H,2-5,11-12,14-17H2,1H3,(H,25,26)
InChIKeyBZYINLFSTQTXFK-UHFFFAOYSA-N
XLogP5.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-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

[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone (CID 109218600) is azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone is CC1CCN(c2ccc(Nc3ccnc(C(=O)N4CCCCCC4)c3)cc2)CC1.
What is the InChIKey of azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
The InChIKey is BZYINLFSTQTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-19-11-16-27(17-12-19)22-8-6-20(7-9-22)26-21-10-13-25-23(18-21)24(29)28-14-4-2-3-5-15-28/h6-10,13,18-19H,2-5,11-12,14-17H2,1H3,(H,25,26).
What are the key properties of azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone has a molecular weight of 392.55 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone is sourced from PubChem (CID 109218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).