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

C13H17N3O2 — CID 73440375

IUPAC1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2ncccc2C)C1
InChIInChI=1S/C13H17N3O2/c1-9-4-3-5-14-12(9)6-15-13(18)11-7-16(8-11)10(2)17/h3-5,11H,6-8H2,1-2H3,(H,15,18)
InChIKeyLIKVIYOMAVLQEX-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.48
Rot. Bonds3

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

1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide (PubChem CID 73440375) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
PubChem CID73440375
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2ncccc2C)C1
InChIInChI=1S/C13H17N3O2/c1-9-4-3-5-14-12(9)6-15-13(18)11-7-16(8-11)10(2)17/h3-5,11H,6-8H2,1-2H3,(H,15,18)
InChIKeyLIKVIYOMAVLQEX-UHFFFAOYSA-N
XLogP0.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
CID 110107506
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
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
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
2,2-dimethyl-3-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835828
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide (CID 73440375) is 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2ncccc2C)C1.
What is the InChIKey of 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide?
The InChIKey is LIKVIYOMAVLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-3-5-14-12(9)6-15-13(18)11-7-16(8-11)10(2)17/h3-5,11H,6-8H2,1-2H3,(H,15,18).
What are the key properties of 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide?
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 73440375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).