[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone

C19H22ClN3O — CID 134710185

IUPAC[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1c(Cl)cccc1CNc1cc(C(=O)N2CCCCC2)ccn1
InChIInChI=1S/C19H22ClN3O/c1-14-16(6-5-7-17(14)20)13-22-18-12-15(8-9-21-18)19(24)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,22)
InChIKeyVUWLEFDFMGGPOD-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.28
Rot. Bonds4

About [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone

[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 134710185) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID134710185
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1c(Cl)cccc1CNc1cc(C(=O)N2CCCCC2)ccn1
InChIInChI=1S/C19H22ClN3O/c1-14-16(6-5-7-17(14)20)13-22-18-12-15(8-9-21-18)19(24)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,22)
InChIKeyVUWLEFDFMGGPOD-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone 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-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(2-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109169691
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56868954
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
[2-[2-(furan-2-yl)ethylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709793
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone (CID 134710185) is [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone is Cc1c(Cl)cccc1CNc1cc(C(=O)N2CCCCC2)ccn1.
What is the InChIKey of [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VUWLEFDFMGGPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-16(6-5-7-17(14)20)13-22-18-12-15(8-9-21-18)19(24)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,22).
What are the key properties of [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 343.86 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134710185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).