N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

C20H23N3O2 — CID 109081809

IUPACN-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)NCc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-8-11-23(12-9-15)20(25)18-13-17(7-10-21-18)19(24)22-14-16-5-3-2-4-6-16/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyNOQBTUDJHPCRLG-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.88
Rot. Bonds4

About N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109081809) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109081809
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)NCc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H23N3O2/c1-15-8-11-23(12-9-15)20(25)18-13-17(7-10-21-18)19(24)22-14-16-5-3-2-4-6-16/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,22,24)
InChIKeyNOQBTUDJHPCRLG-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109081800
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
N-(2,6-dichlorophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081931
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109081809) is N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CC1CCN(C(=O)c2cc(C(=O)NCc3ccccc3)ccn2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is NOQBTUDJHPCRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-8-11-23(12-9-15)20(25)18-13-17(7-10-21-18)19(24)22-14-16-5-3-2-4-6-16/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).