5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide

C14H19ClN4O — CID 114922574

IUPAC5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CCC#N)CC(C)C)c(Cl)cn1
InChIInChI=1S/C14H19ClN4O/c1-10(2)9-19(6-4-5-16)14(20)11-7-13(17-3)18-8-12(11)15/h7-8,10H,4,6,9H2,1-3H3,(H,17,18)
InChIKeyZCKRIOSSACGZPZ-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.79
Rot. Bonds6

About 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide

5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114922574) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID114922574
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CCC#N)CC(C)C)c(Cl)cn1
InChIInChI=1S/C14H19ClN4O/c1-10(2)9-19(6-4-5-16)14(20)11-7-13(17-3)18-8-12(11)15/h7-8,10H,4,6,9H2,1-3H3,(H,17,18)
InChIKeyZCKRIOSSACGZPZ-UHFFFAOYSA-N
XLogP2.79
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 114924043
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
2-chloro-N-(2-cyanoethyl)-6-hydrazinyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62235894
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62236256
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922590
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 114922574) is 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is CNc1cc(C(=O)N(CCC#N)CC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is ZCKRIOSSACGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-10(2)9-19(6-4-5-16)14(20)11-7-13(17-3)18-8-12(11)15/h7-8,10H,4,6,9H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).