5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide

C14H13N3OS — CID 55229031

IUPAC5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1ccc(C#N)cn1)c1cccs1
InChIInChI=1S/C14H13N3OS/c1-2-11(13-4-3-7-19-13)17-14(18)12-6-5-10(8-15)9-16-12/h3-7,9,11H,2H2,1H3,(H,17,18)
InChIKeySKEATBLWJWDFBI-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.90
Rot. Bonds4

About 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide

5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide (PubChem CID 55229031) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
PubChem CID55229031
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1ccc(C#N)cn1)c1cccs1
InChIInChI=1S/C14H13N3OS/c1-2-11(13-4-3-7-19-13)17-14(18)12-6-5-10(8-15)9-16-12/h3-7,9,11H,2H2,1H3,(H,17,18)
InChIKeySKEATBLWJWDFBI-UHFFFAOYSA-N
XLogP2.90
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 104640542
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
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
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
(2R)-2-[(5-cyanopyridine-2-carbonyl)amino]pentanoic acid
CID 98538518
N-(1-thiophen-2-ylpropyl)-1H-pyrrole-2-carboxamide
CID 56876010
N-(cyanomethyl)-N'-(1-thiophen-2-ylpropyl)oxamide
CID 54964386
N-(1-chloro-4-methylpentan-2-yl)-5-cyanopyridine-2-carboxamide
CID 113272506
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide (CID 55229031) is 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide is CCC(NC(=O)c1ccc(C#N)cn1)c1cccs1.
What is the InChIKey of 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
The InChIKey is SKEATBLWJWDFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-11(13-4-3-7-19-13)17-14(18)12-6-5-10(8-15)9-16-12/h3-7,9,11H,2H2,1H3,(H,17,18).
What are the key properties of 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide?
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 55229031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).