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

C14H21N3O — CID 113232203

IUPAC3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21N3O/c1-11-5-4-8-17(10-11)14(18)16-9-13-12(2)6-3-7-15-13/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,16,18)
InChIKeyJGUWWQMRTPSTHJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds2

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

3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 113232203) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID113232203
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1cccnc1CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H21N3O/c1-11-5-4-8-17(10-11)14(18)16-9-13-12(2)6-3-7-15-13/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,16,18)
InChIKeyJGUWWQMRTPSTHJ-UHFFFAOYSA-N
XLogP2.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
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
N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide
CID 108878383
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
3-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-1-carboxamide
CID 106415578
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
1-[(3-methyl-2-pyridinyl)methyl]-3-[(3R)-1-phenylpiperidin-3-yl]urea
CID 124563812
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide (CID 113232203) is 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide is Cc1cccnc1CNC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is JGUWWQMRTPSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-4-8-17(10-11)14(18)16-9-13-12(2)6-3-7-15-13/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide?
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 113232203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).