3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide

C13H19N3O2 — CID 111104361

IUPAC3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H19N3O2/c1-10-4-2-6-14-12(10)8-15-13(18)16-7-3-5-11(17)9-16/h2,4,6,11,17H,3,5,7-9H2,1H3,(H,15,18)
InChIKeyYTYSZVCBTAUHPD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.06
Rot. Bonds2

About 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide

3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 111104361) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID111104361
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H19N3O2/c1-10-4-2-6-14-12(10)8-15-13(18)16-7-3-5-11(17)9-16/h2,4,6,11,17H,3,5,7-9H2,1H3,(H,15,18)
InChIKeyYTYSZVCBTAUHPD-UHFFFAOYSA-N
XLogP1.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63309541
(3R)-N-[(3-methyl-2-pyridinyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 95934138
trans-(1S,2S)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526857
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide (CID 111104361) is 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide is Cc1cccnc1CNC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is YTYSZVCBTAUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-2-6-14-12(10)8-15-13(18)16-7-3-5-11(17)9-16/h2,4,6,11,17H,3,5,7-9H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 111104361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).