N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

C13H17N3O2 — CID 110258723

IUPACN-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H17N3O2/c1-14-12(17)11-3-2-8-16(9-11)13(18)10-4-6-15-7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,14,17)
InChIKeyKWKUXWDIRVAYKS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.68
Rot. Bonds2

About N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 110258723) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID110258723
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H17N3O2/c1-14-12(17)11-3-2-8-16(9-11)13(18)10-4-6-15-7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,14,17)
InChIKeyKWKUXWDIRVAYKS-UHFFFAOYSA-N
XLogP0.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 120575634
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 110258723) is N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is KWKUXWDIRVAYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-12(17)11-3-2-8-16(9-11)13(18)10-4-6-15-7-5-10/h4-7,11H,2-3,8-9H2,1H3,(H,14,17).
What are the key properties of N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110258723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).