2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

C14H18N4O — CID 115115910

IUPAC2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccnc(C#N)c2)C1
InChIInChI=1S/C14H18N4O/c1-17-6-4-11(9-17)10-18(2)14(19)12-3-5-16-13(7-12)8-15/h3,5,7,11H,4,6,9-10H2,1-2H3
InChIKeyAAIROCQSNRKZJJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.98
Rot. Bonds3

About 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 115115910) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID115115910
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2ccnc(C#N)c2)C1
InChIInChI=1S/C14H18N4O/c1-17-6-4-11(9-17)10-18(2)14(19)12-3-5-16-13(7-12)8-15/h3,5,7,11H,4,6,9-10H2,1-2H3
InChIKeyAAIROCQSNRKZJJ-UHFFFAOYSA-N
XLogP0.98
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (CID 115115910) is 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is CN1CCC(CN(C)C(=O)c2ccnc(C#N)c2)C1.
What is the InChIKey of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is AAIROCQSNRKZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-6-4-11(9-17)10-18(2)14(19)12-3-5-16-13(7-12)8-15/h3,5,7,11H,4,6,9-10H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115115910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).