4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide

C13H22N4O — CID 113283242

IUPAC4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCC(N)(CC)CNc1ccnc(C(=O)NC)c1
InChIInChI=1S/C13H22N4O/c1-4-13(14,5-2)9-17-10-6-7-16-11(8-10)12(18)15-3/h6-8H,4-5,9,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIDEDJPOPNUTADU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds6

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

4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 113283242) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID113283242
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCC(N)(CC)CNc1ccnc(C(=O)NC)c1
InChIInChI=1S/C13H22N4O/c1-4-13(14,5-2)9-17-10-6-7-16-11(8-10)12(18)15-3/h6-8H,4-5,9,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyIDEDJPOPNUTADU-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
N-methyl-4-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 129189538
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide (CID 113283242) is 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide is CCC(N)(CC)CNc1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is IDEDJPOPNUTADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-13(14,5-2)9-17-10-6-7-16-11(8-10)12(18)15-3/h6-8H,4-5,9,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide?
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 113283242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).