4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide

C13H22N4O — CID 114149238

IUPAC4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCC(C)(C)CCN)ccn1
InChIInChI=1S/C13H22N4O/c1-13(2,5-6-14)9-17-10-4-7-16-11(8-10)12(18)15-3/h4,7-8H,5-6,9,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWAIGLTMOMJIGJC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds6

About 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide

4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 114149238) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID114149238
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCC(C)(C)CCN)ccn1
InChIInChI=1S/C13H22N4O/c1-13(2,5-6-14)9-17-10-4-7-16-11(8-10)12(18)15-3/h4,7-8H,5-6,9,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWAIGLTMOMJIGJC-UHFFFAOYSA-N
XLogP1.23
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
CID 106142118
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 114155484
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide (CID 114149238) is 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCC(C)(C)CCN)ccn1.
What is the InChIKey of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is WAIGLTMOMJIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,5-6-14)9-17-10-4-7-16-11(8-10)12(18)15-3/h4,7-8H,5-6,9,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide?
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 114149238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).