N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C21H17ClF3N3O2 — CID 58614681

IUPACN-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C21H17ClF3N3O2/c1-3-30-14-5-8-18(26-11-14)16-10-13(4-7-17(16)22)28-20(29)15-6-9-19(21(23,24)25)27-12(15)2/h4-11H,3H2,1-2H3,(H,28,29)
InChIKeyGQXBKWKUVFLYQK-UHFFFAOYSA-N
MW435.83 g/mol
LogP5.78
Rot. Bonds5

About N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58614681) has the molecular formula C21H17ClF3N3O2 and a molecular weight of 435.83 g/mol. Its IUPAC name is N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58614681
Molecular FormulaC21H17ClF3N3O2
Molecular Weight435.83 g/mol
Exact Mass435.10
IUPAC NameN-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C21H17ClF3N3O2/c1-3-30-14-5-8-18(26-11-14)16-10-13(4-7-17(16)22)28-20(29)15-6-9-19(21(23,24)25)27-12(15)2/h4-11H,3H2,1-2H3,(H,28,29)
InChIKeyGQXBKWKUVFLYQK-UHFFFAOYSA-N
XLogP5.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-
CID 656950
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
2-chloro-N-[4-(3-pyridinyloxy)phenyl]benzamide
CID 806456
N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2911875
5-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-methyl-nicotinamide
CID 10195382
4-[3-(3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-3-oxopropyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 11503895
5-[(3-Benzamidophenyl)methoxy]pyridine-3-carboxamide
CID 124155856
5-[[3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155865
5-[[3-[(2-Fluorobenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155880
5-[[3-[(2,4-Difluorobenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155892
5-[[3-[(3-Fluoro-4-pyridin-3-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155918
5-[[3-[(4-Fluorobenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156051

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 58614681) is N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.
What is the InChIKey of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GQXBKWKUVFLYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3O2/c1-3-30-14-5-8-18(26-11-14)16-10-13(4-7-17(16)22)28-20(29)15-6-9-19(21(23,24)25)27-12(15)2/h4-11H,3H2,1-2H3,(H,28,29).
What are the key properties of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 435.83 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58614681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).