2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide

C10H14ClN3O — CID 62155359

IUPAC2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-3-6(2)13-10(15)7-4-8(11)14-9(12)5-7/h4-6H,3H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyOGYBPJQIRFLWEL-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide

2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide (PubChem CID 62155359) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
PubChem CID62155359
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-3-6(2)13-10(15)7-4-8(11)14-9(12)5-7/h4-6H,3H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyOGYBPJQIRFLWEL-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.85
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-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
CID 62160387
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
2-amino-6-chloro-N-(1-cyclohexylethyl)pyridine-4-carboxamide
CID 62407259
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
CID 113499345
2-amino-6-chloro-N-(2,6-diethylphenyl)pyridine-4-carboxamide
CID 62153038
N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
CID 130617010

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide (CID 62155359) is 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide is CCC(C)NC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide?
The InChIKey is OGYBPJQIRFLWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-6(2)13-10(15)7-4-8(11)14-9(12)5-7/h4-6H,3H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide?
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide is sourced from PubChem (CID 62155359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).