2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide

C10H14ClN3O — CID 87531702

IUPAC2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(N)=O)cc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-6(2)5-13-9-4-7(10(12)15)3-8(11)14-9/h3-4,6H,5H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyLUDQIZHBOZBHKV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide

2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide (PubChem CID 87531702) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide
PubChem CID87531702
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(N)=O)cc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-6(2)5-13-9-4-7(10(12)15)3-8(11)14-9/h3-4,6H,5H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyLUDQIZHBOZBHKV-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methylpyridine-4-carboxamide
CID 59534429
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide (CID 87531702) is 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide is CC(C)CNc1cc(C(N)=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide?
The InChIKey is LUDQIZHBOZBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(2)5-13-9-4-7(10(12)15)3-8(11)14-9/h3-4,6H,5H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide?
2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 87531702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).