2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

C12H19N3O — CID 62185668

IUPAC2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cccnc1N
InChIInChI=1S/C12H19N3O/c1-9(2)6-8-15(3)12(16)10-5-4-7-14-11(10)13/h4-5,7,9H,6,8H2,1-3H3,(H2,13,14)
InChIKeyBUEZLGLTZOJNMP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds4

About 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 62185668) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID62185668
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cccnc1N
InChIInChI=1S/C12H19N3O/c1-9(2)6-8-15(3)12(16)10-5-4-7-14-11(10)13/h4-5,7,9H,6,8H2,1-3H3,(H2,13,14)
InChIKeyBUEZLGLTZOJNMP-UHFFFAOYSA-N
XLogP1.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62178139
2-amino-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 62058999
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
2-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63961873
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
2-(ethylamino)-N-methyl-N-(3-methylbutyl)benzamide
CID 62177256
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 114193918

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (CID 62185668) is 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is CC(C)CCN(C)C(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is BUEZLGLTZOJNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)6-8-15(3)12(16)10-5-4-7-14-11(10)13/h4-5,7,9H,6,8H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 62185668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).