5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide

C13H19N3O — CID 109179836

IUPAC5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NC2CC2)nc1
InChIInChI=1S/C13H19N3O/c1-3-9(2)15-11-6-7-12(14-8-11)13(17)16-10-4-5-10/h6-10,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyVWRAFKLPBCUFCQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.18
Rot. Bonds5

About 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide

5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide (PubChem CID 109179836) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
PubChem CID109179836
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NC2CC2)nc1
InChIInChI=1S/C13H19N3O/c1-3-9(2)15-11-6-7-12(14-8-11)13(17)16-10-4-5-10/h6-10,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyVWRAFKLPBCUFCQ-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-cyclopropyl-5-ethylpyridine-2-carboxamide;ethane
CID 166088952
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109182921

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide (CID 109179836) is 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)NC2CC2)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is VWRAFKLPBCUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-9(2)15-11-6-7-12(14-8-11)13(17)16-10-4-5-10/h6-10,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide?
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 109179836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).