4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide

C14H9ClF4N4O2 — CID 167684866

IUPAC4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)cc(Cl)c1C#N
InChIInChI=1S/C14H9ClF4N4O2/c1-22-10(3-8(15)11(22)4-20)12(24)21-7-2-9(16)13(25)23(5-7)6-14(17,18)19/h2-3,5H,6H2,1H3,(H,21,24)
InChIKeyWBLPDCUDIRTYHY-UHFFFAOYSA-N
MW376.70 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide

4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide (PubChem CID 167684866) has the molecular formula C14H9ClF4N4O2 and a molecular weight of 376.70 g/mol. Its IUPAC name is 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide
PubChem CID167684866
Molecular FormulaC14H9ClF4N4O2
Molecular Weight376.70 g/mol
Exact Mass376.04
IUPAC Name4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)cc(Cl)c1C#N
InChIInChI=1S/C14H9ClF4N4O2/c1-22-10(3-8(15)11(22)4-20)12(24)21-7-2-9(16)13(25)23(5-7)6-14(17,18)19/h2-3,5H,6H2,1H3,(H,21,24)
InChIKeyWBLPDCUDIRTYHY-UHFFFAOYSA-N
XLogP2.67
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
CID 167631207
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323136
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 146323188
5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane
CID 167703950
5-chloro-N-(5-chloro-1-ethyl-6-oxo-3-pyridinyl)-4-cyanothiophene-2-carboxamide
CID 146323492
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
N-(4-chloro-2-iodophenyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 107640576
2-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 146323287
N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
CID 71325211
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
CID 146323285

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide (CID 167684866) is 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)cc(Cl)c1C#N.
What is the InChIKey of 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is WBLPDCUDIRTYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N4O2/c1-22-10(3-8(15)11(22)4-20)12(24)21-7-2-9(16)13(25)23(5-7)6-14(17,18)19/h2-3,5H,6H2,1H3,(H,21,24).
What are the key properties of 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide?
4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 376.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 167684866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).