N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide

C15H19FN4O — CID 105385444

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)N(CCC#N)C2CC2)c1F
InChIInChI=1S/C15H19FN4O/c1-2-8-18-14-13(16)12(6-9-19-14)15(21)20(10-3-7-17)11-4-5-11/h6,9,11H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyVHQNJFQOGKNUAV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.56
Rot. Bonds7

About N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide (PubChem CID 105385444) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
PubChem CID105385444
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1nccc(C(=O)N(CCC#N)C2CC2)c1F
InChIInChI=1S/C15H19FN4O/c1-2-8-18-14-13(16)12(6-9-19-14)15(21)20(10-3-7-17)11-4-5-11/h6,9,11H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyVHQNJFQOGKNUAV-UHFFFAOYSA-N
XLogP2.56
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
CID 105069192
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
CID 105380347
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
N-(2-cyanopropyl)-N-ethyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385733
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-fluoro-2-(propylamino)-4-pyridinyl]methanone
CID 105387091
3-fluoro-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105384157

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide (CID 105385444) is N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide is CCCNc1nccc(C(=O)N(CCC#N)C2CC2)c1F.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is VHQNJFQOGKNUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-8-18-14-13(16)12(6-9-19-14)15(21)20(10-3-7-17)11-4-5-11/h6,9,11H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).