2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide

C12H18ClN3O — CID 62155974

IUPAC2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-4-8(2)7-16(3)12(17)9-5-10(13)15-11(14)6-9/h5-6,8H,4,7H2,1-3H3,(H2,14,15)
InChIKeyIGHIBUQUZIBZDG-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide

2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide (PubChem CID 62155974) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
PubChem CID62155974
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-4-8(2)7-16(3)12(17)9-5-10(13)15-11(14)6-9/h5-6,8H,4,7H2,1-3H3,(H2,14,15)
InChIKeyIGHIBUQUZIBZDG-UHFFFAOYSA-N
XLogP2.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979
2-amino-6-chloro-N-(2-methylpentan-3-yl)pyridine-4-carboxamide
CID 62160387
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide (CID 62155974) is 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide is CCC(C)CN(C)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
The InChIKey is IGHIBUQUZIBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-8(2)7-16(3)12(17)9-5-10(13)15-11(14)6-9/h5-6,8H,4,7H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 62155974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).