N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide

C11H14N4O — CID 65193453

IUPACN-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
SMILESCCC(CN)NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H14N4O/c1-2-9(6-13)15-11(16)10-4-3-8(5-12)7-14-10/h3-4,7,9H,2,6,13H2,1H3,(H,15,16)
InChIKeyVBLFYPLFXALBIK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.42
Rot. Bonds4

About N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide

N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide (PubChem CID 65193453) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
PubChem CID65193453
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
SMILESCCC(CN)NC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H14N4O/c1-2-9(6-13)15-11(16)10-4-3-8(5-12)7-14-10/h3-4,7,9H,2,6,13H2,1H3,(H,15,16)
InChIKeyVBLFYPLFXALBIK-UHFFFAOYSA-N
XLogP0.42
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
N-(1-chloro-4-methylpentan-2-yl)-5-cyanopyridine-2-carboxamide
CID 113272506
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 115310434
5-cyano-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyridine-2-carboxamide
CID 97001137
5-cyano-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]pyridine-2-carboxamide
CID 97001134
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
CID 86786687
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide (CID 65193453) is N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide is CCC(CN)NC(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide?
The InChIKey is VBLFYPLFXALBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-9(6-13)15-11(16)10-4-3-8(5-12)7-14-10/h3-4,7,9H,2,6,13H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide?
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 65193453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).