N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

C20H23N3O2 — CID 109102850

IUPACN-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-5-7-16(8-6-15)12-22-19(24)17-11-18(14-21-13-17)20(25)23-9-3-2-4-10-23/h5-8,11,13-14H,2-4,9-10,12H2,1H3,(H,22,24)
InChIKeyIYWAAFHILGCTLX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102850) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102850
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-5-7-16(8-6-15)12-22-19(24)17-11-18(14-21-13-17)20(25)23-9-3-2-4-10-23/h5-8,11,13-14H,2-4,9-10,12H2,1H3,(H,22,24)
InChIKeyIYWAAFHILGCTLX-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

5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109105272
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
5-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109105830
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (CID 109102850) is N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is IYWAAFHILGCTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-5-7-16(8-6-15)12-22-19(24)17-11-18(14-21-13-17)20(25)23-9-3-2-4-10-23/h5-8,11,13-14H,2-4,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-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-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).