4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

C12H14N4O — CID 115115642

IUPAC4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnccc2C#N)C1
InChIInChI=1S/C12H14N4O/c1-16-5-3-10(8-16)15-12(17)11-7-14-4-2-9(11)6-13/h2,4,7,10H,3,5,8H2,1H3,(H,15,17)
InChIKeyBYSKGFAFCHAYJC-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.39
Rot. Bonds2

About 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 115115642) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID115115642
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnccc2C#N)C1
InChIInChI=1S/C12H14N4O/c1-16-5-3-10(8-16)15-12(17)11-7-14-4-2-9(11)6-13/h2,4,7,10H,3,5,8H2,1H3,(H,15,17)
InChIKeyBYSKGFAFCHAYJC-UHFFFAOYSA-N
XLogP0.39
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 81239986
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81232405
3-hydrazinyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 105071671
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890
2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116174
2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 106853762
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 63997254
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (CID 115115642) is 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnccc2C#N)C1.
What is the InChIKey of 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is BYSKGFAFCHAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-5-3-10(8-16)15-12(17)11-7-14-4-2-9(11)6-13/h2,4,7,10H,3,5,8H2,1H3,(H,15,17).
What are the key properties of 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115115642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).