1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide

C13H19N3O — CID 80587423

IUPAC1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CC(C)C2)nc1
InChIInChI=1S/C13H19N3O/c1-9-3-4-11(15-7-9)16-12(17)13(8-14)5-10(2)6-13/h3-4,7,10H,5-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyVQZVSZILBWFFKC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds3

About 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 80587423) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide
PubChem CID80587423
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CC(C)C2)nc1
InChIInChI=1S/C13H19N3O/c1-9-3-4-11(15-7-9)16-12(17)13(8-14)5-10(2)6-13/h3-4,7,10H,5-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyVQZVSZILBWFFKC-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 59322318
1-(aminomethyl)-3-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 80588316
4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide
CID 80588190
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
1-(aminomethyl)-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 80588204
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide (CID 80587423) is 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide is Cc1ccc(NC(=O)C2(CN)CC(C)C2)nc1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is VQZVSZILBWFFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-4-11(15-7-9)16-12(17)13(8-14)5-10(2)6-13/h3-4,7,10H,5-6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(5-methyl-2-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).