N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide

C13H18N4O — CID 115310434

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H18N4O/c1-9(2)13(3,8-15)17-12(18)11-5-4-10(6-14)7-16-11/h4-5,7,9H,8,15H2,1-3H3,(H,17,18)
InChIKeyISWVFQMOXKAOFQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.06
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide (PubChem CID 115310434) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
PubChem CID115310434
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H18N4O/c1-9(2)13(3,8-15)17-12(18)11-5-4-10(6-14)7-16-11/h4-5,7,9H,8,15H2,1-3H3,(H,17,18)
InChIKeyISWVFQMOXKAOFQ-UHFFFAOYSA-N
XLogP1.06
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
CID 86786687
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261170
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-(1-chloro-4-methylpentan-2-yl)-5-cyanopyridine-2-carboxamide
CID 113272506
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide (CID 115310434) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide is CC(C)C(C)(CN)NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide?
The InChIKey is ISWVFQMOXKAOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)13(3,8-15)17-12(18)11-5-4-10(6-14)7-16-11/h4-5,7,9H,8,15H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 115310434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).