N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide

C12H16ClN3O — CID 81486883

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(CN)(NC(=O)c1ccncc1Cl)C1CC1
InChIInChI=1S/C12H16ClN3O/c1-12(7-14,8-2-3-8)16-11(17)9-4-5-15-6-10(9)13/h4-6,8H,2-3,7,14H2,1H3,(H,16,17)
InChIKeyACBCWUIYIIECII-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.59
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide (PubChem CID 81486883) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
PubChem CID81486883
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(CN)(NC(=O)c1ccncc1Cl)C1CC1
InChIInChI=1S/C12H16ClN3O/c1-12(7-14,8-2-3-8)16-11(17)9-4-5-15-6-10(9)13/h4-6,8H,2-3,7,14H2,1H3,(H,16,17)
InChIKeyACBCWUIYIIECII-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66463794
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
CID 119574119
N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
CID 115307666
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide (CID 81486883) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide is CC(CN)(NC(=O)c1ccncc1Cl)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is ACBCWUIYIIECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(7-14,8-2-3-8)16-11(17)9-4-5-15-6-10(9)13/h4-6,8H,2-3,7,14H2,1H3,(H,16,17).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 81486883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).