N-(2-cyanopropyl)pyridine-2-carboxamide

C10H11N3O — CID 62651477

IUPACN-(2-cyanopropyl)pyridine-2-carboxamide
SMILESCC(C#N)CNC(=O)c1ccccn1
InChIInChI=1S/C10H11N3O/c1-8(6-11)7-13-10(14)9-4-2-3-5-12-9/h2-5,8H,7H2,1H3,(H,13,14)
InChIKeyZHVPAFVVZIWGDV-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.97
Rot. Bonds3

About N-(2-cyanopropyl)pyridine-2-carboxamide

N-(2-cyanopropyl)pyridine-2-carboxamide (PubChem CID 62651477) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(2-cyanopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)pyridine-2-carboxamide
PubChem CID62651477
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(2-cyanopropyl)pyridine-2-carboxamide
SMILESCC(C#N)CNC(=O)c1ccccn1
InChIInChI=1S/C10H11N3O/c1-8(6-11)7-13-10(14)9-4-2-3-5-12-9/h2-5,8H,7H2,1H3,(H,13,14)
InChIKeyZHVPAFVVZIWGDV-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
CID 103875341
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
CID 103493160
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 114308424
N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide
CID 162019589
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)pyridine-2-carboxamide (CID 62651477) is N-(2-cyanopropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)pyridine-2-carboxamide is CC(C#N)CNC(=O)c1ccccn1.
What is the InChIKey of N-(2-cyanopropyl)pyridine-2-carboxamide?
The InChIKey is ZHVPAFVVZIWGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8(6-11)7-13-10(14)9-4-2-3-5-12-9/h2-5,8H,7H2,1H3,(H,13,14).
What are the key properties of N-(2-cyanopropyl)pyridine-2-carboxamide?
N-(2-cyanopropyl)pyridine-2-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62651477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).