N-(1-cyanopropan-2-yl)pyridine-2-carboxamide

C10H11N3O — CID 62090992

IUPACN-(1-cyanopropan-2-yl)pyridine-2-carboxamide
SMILESCC(CC#N)NC(=O)c1ccccn1
InChIInChI=1S/C10H11N3O/c1-8(5-6-11)13-10(14)9-4-2-3-7-12-9/h2-4,7-8H,5H2,1H3,(H,13,14)
InChIKeySNPUARQLTNUKCL-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.11
Rot. Bonds3

About N-(1-cyanopropan-2-yl)pyridine-2-carboxamide

N-(1-cyanopropan-2-yl)pyridine-2-carboxamide (PubChem CID 62090992) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)pyridine-2-carboxamide
PubChem CID62090992
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(1-cyanopropan-2-yl)pyridine-2-carboxamide
SMILESCC(CC#N)NC(=O)c1ccccn1
InChIInChI=1S/C10H11N3O/c1-8(5-6-11)13-10(14)9-4-2-3-7-12-9/h2-4,7-8H,5H2,1H3,(H,13,14)
InChIKeySNPUARQLTNUKCL-UHFFFAOYSA-N
XLogP1.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
N-[cyano-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110664180
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)pyridine-2-carboxamide (CID 62090992) is N-(1-cyanopropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)pyridine-2-carboxamide is CC(CC#N)NC(=O)c1ccccn1.
What is the InChIKey of N-(1-cyanopropan-2-yl)pyridine-2-carboxamide?
The InChIKey is SNPUARQLTNUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8(5-6-11)13-10(14)9-4-2-3-7-12-9/h2-4,7-8H,5H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanopropan-2-yl)pyridine-2-carboxamide?
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62090992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).