2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide

C12H17N3O — CID 84574880

IUPAC2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C12H17N3O/c1-8(2)14-12(16)10-4-3-7-13-11(10)15-9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNLGDOAQJMVDGHR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds4

About 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide

2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 84574880) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID84574880
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C12H17N3O/c1-8(2)14-12(16)10-4-3-7-13-11(10)15-9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNLGDOAQJMVDGHR-UHFFFAOYSA-N
XLogP1.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclopentylamino)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-3-carboxamide
CID 95630402
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 84574884
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 56792744

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 84574880) is 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cccnc1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is NLGDOAQJMVDGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)14-12(16)10-4-3-7-13-11(10)15-9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide?
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 84574880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).