5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C22H20ClF3N4O2 — CID 56929461

IUPAC5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccn(CC2CC2)n1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClF3N4O2/c23-17-5-3-15(4-6-17)19-9-16(10-28-21(19)32-13-22(24,25)26)20(31)27-11-18-7-8-30(29-18)12-14-1-2-14/h3-10,14H,1-2,11-13H2,(H,27,31)
InChIKeyTTWZQFRXMPQRKY-UHFFFAOYSA-N
MW464.88 g/mol
LogP4.88
Rot. Bonds8

About 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 56929461) has the molecular formula C22H20ClF3N4O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID56929461
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC Name5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccn(CC2CC2)n1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClF3N4O2/c23-17-5-3-15(4-6-17)19-9-16(10-28-21(19)32-13-22(24,25)26)20(31)27-11-18-7-8-30(29-18)12-14-1-2-14/h3-10,14H,1-2,11-13H2,(H,27,31)
InChIKeyTTWZQFRXMPQRKY-UHFFFAOYSA-N
XLogP4.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[4-(2-hydroxyethyl)piperidin-1-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71293948
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(4-chlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71294012
2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 67971457
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-(4-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)butyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66686841
N-(2-cyclopropyl-2-methoxyiminoethyl)-5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 76530255
5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-(3,3,3-trifluoro-2-methoxyiminopropyl)pyridine-3-carboxamide
CID 76530344
5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 66687182
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 56929461) is 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccn(CC2CC2)n1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is TTWZQFRXMPQRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2/c23-17-5-3-15(4-6-17)19-9-16(10-28-21(19)32-13-22(24,25)26)20(31)27-11-18-7-8-30(29-18)12-14-1-2-14/h3-10,14H,1-2,11-13H2,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 464.88 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 56929461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).