5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

C15H20N4O — CID 106609890

IUPAC5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C15H20N4O/c1-11(2)19(10-13-4-3-7-17-13)15(20)14-6-5-12(8-16)9-18-14/h5-6,9,11,13,17H,3-4,7,10H2,1-2H3
InChIKeyYJKFPOBTMVFIRI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds4

About 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 106609890) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID106609890
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C15H20N4O/c1-11(2)19(10-13-4-3-7-17-13)15(20)14-6-5-12(8-16)9-18-14/h5-6,9,11,13,17H,3-4,7,10H2,1-2H3
InChIKeyYJKFPOBTMVFIRI-UHFFFAOYSA-N
XLogP1.56
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 106626546
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
3-ethyl-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106609915
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (CID 106609890) is 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is CC(C)N(CC1CCCN1)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YJKFPOBTMVFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19(10-13-4-3-7-17-13)15(20)14-6-5-12(8-16)9-18-14/h5-6,9,11,13,17H,3-4,7,10H2,1-2H3.
What are the key properties of 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106609890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).