1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide

C20H26N4O — CID 86779320

IUPAC1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESCc1ccc(CNCc2ccccc2N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C20H26N4O/c1-15-8-9-18(23-11-15)13-22-12-16-5-2-3-7-19(16)24-10-4-6-17(14-24)20(21)25/h2-3,5,7-9,11,17,22H,4,6,10,12-14H2,1H3,(H2,21,25)
InChIKeyKMRWCPJAPQMOFU-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.38
Rot. Bonds6

About 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide

1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 86779320) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID86779320
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESCc1ccc(CNCc2ccccc2N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C20H26N4O/c1-15-8-9-18(23-11-15)13-22-12-16-5-2-3-7-19(16)24-10-4-6-17(14-24)20(21)25/h2-3,5,7-9,11,17,22H,4,6,10,12-14H2,1H3,(H2,21,25)
InChIKeyKMRWCPJAPQMOFU-UHFFFAOYSA-N
XLogP2.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-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

(3S)-1-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 97220549
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 75371651
1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 146106982
1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 167812213
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
(3S)-1-[3-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 100686586
1-pyridazin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 106834182
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide (CID 86779320) is 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide is Cc1ccc(CNCc2ccccc2N2CCCC(C(N)=O)C2)nc1.
What is the InChIKey of 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is KMRWCPJAPQMOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-8-9-18(23-11-15)13-22-12-16-5-2-3-7-19(16)24-10-4-6-17(14-24)20(21)25/h2-3,5,7-9,11,17,22H,4,6,10,12-14H2,1H3,(H2,21,25).
What are the key properties of 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 86779320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).