2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide

C12H18ClN3O — CID 62160387

IUPAC2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(N)nc(Cl)c1)C(C)C
InChIInChI=1S/C12H18ClN3O/c1-4-9(7(2)3)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,4H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyLMBLCUCVYCBIIP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.48
Rot. Bonds4

About 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 62160387) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
PubChem CID62160387
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(N)nc(Cl)c1)C(C)C
InChIInChI=1S/C12H18ClN3O/c1-4-9(7(2)3)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,4H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyLMBLCUCVYCBIIP-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.48
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-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
2-amino-6-chloro-N-(1-cyclohexylethyl)pyridine-4-carboxamide
CID 62407259
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
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
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethylpyridine-4-carboxamide
CID 106347161
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-(2,6-diethylphenyl)pyridine-4-carboxamide
CID 62153038

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide (CID 62160387) is 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide is CCC(NC(=O)c1cc(N)nc(Cl)c1)C(C)C.
What is the InChIKey of 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is LMBLCUCVYCBIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-9(7(2)3)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,4H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 62160387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).