N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide

C20H23N3O2 — CID 109081205

IUPACN-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23N3O2/c1-15-7-3-4-8-17(15)14-22-19(24)16-9-10-21-18(13-16)20(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyMAINQLABEKKMMK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide

N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109081205) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109081205
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23N3O2/c1-15-7-3-4-8-17(15)14-22-19(24)16-9-10-21-18(13-16)20(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyMAINQLABEKKMMK-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082968
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide (CID 109081205) is N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide is Cc1ccccc1CNC(=O)c1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is MAINQLABEKKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-7-3-4-8-17(15)14-22-19(24)16-9-10-21-18(13-16)20(25)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).