N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide

C19H16ClF3N2O3 — CID 157131864

IUPACN-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccnc(CC(=O)C2CC2)c1
InChIInChI=1S/C19H16ClF3N2O3/c20-15-7-11(1-4-17(15)28-19(21,22)23)10-25-18(27)13-5-6-24-14(8-13)9-16(26)12-2-3-12/h1,4-8,12H,2-3,9-10H2,(H,25,27)
InChIKeyAJEAFHHNTSQHGO-UHFFFAOYSA-N
MW412.80 g/mol
LogP4.09
Rot. Bonds7

About N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide

N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide (PubChem CID 157131864) has the molecular formula C19H16ClF3N2O3 and a molecular weight of 412.80 g/mol. Its IUPAC name is N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide
PubChem CID157131864
Molecular FormulaC19H16ClF3N2O3
Molecular Weight412.80 g/mol
Exact Mass412.08
IUPAC NameN-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccnc(CC(=O)C2CC2)c1
InChIInChI=1S/C19H16ClF3N2O3/c20-15-7-11(1-4-17(15)28-19(21,22)23)10-25-18(27)13-5-6-24-14(8-13)9-16(26)12-2-3-12/h1,4-8,12H,2-3,9-10H2,(H,25,27)
InChIKeyAJEAFHHNTSQHGO-UHFFFAOYSA-N
XLogP4.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 158894130
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 142503787
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
CID 171930589
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 158844904
4-[4-[2-[[3-chloro-4-(trifluoromethoxy)benzoyl]amino]ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 70840518
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide?
The IUPAC name of N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide (CID 157131864) is N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide is O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccnc(CC(=O)C2CC2)c1.
What is the InChIKey of N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide?
The InChIKey is AJEAFHHNTSQHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O3/c20-15-7-11(1-4-17(15)28-19(21,22)23)10-25-18(27)13-5-6-24-14(8-13)9-16(26)12-2-3-12/h1,4-8,12H,2-3,9-10H2,(H,25,27).
What are the key properties of N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide?
N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide has a molecular weight of 412.80 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157131864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).