1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide

C18H13ClF3N3O2 — CID 1479250

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C18H13ClF3N3O2/c1-27-13-6-4-12(5-7-13)24-17(26)15-3-2-8-25(15)16-14(19)9-11(10-23-16)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyCMDGHEJUCIPXGC-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.81
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide (PubChem CID 1479250) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide
PubChem CID1479250
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C18H13ClF3N3O2/c1-27-13-6-4-12(5-7-13)24-17(26)15-3-2-8-25(15)16-14(19)9-11(10-23-16)18(20,21)22/h2-10H,1H3,(H,24,26)
InChIKeyCMDGHEJUCIPXGC-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
(S)-6'-Chloro-2-(3-(hydroxymethyl)pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195314
US9670214, Table 12.22
CID 42634223
US9670214, Table 12.21
CID 68627597
6-Chloro-5-(1H-imidazol-2-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72201436
(R)-6'-Methyl-2-(3-(methylamino)pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195162
(S)-2-(3-Aminopyrrolidin-1-yl)-6'-methyl-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195210
(S)-6'-Methyl-2-(3-(methylamino)pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195215
(R)-2-(3-Aminopyrrolidin-1-yl)-6'-methyl-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195226
5-(5-Chloropyridin-2-yl)-2-(((4-(difluoromethoxy)-2-fluorophenyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575120
4-chloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 149788140
3-[(2-amino-2-oxoethyl)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-4-chloro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 11613881

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide (CID 1479250) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide?
The InChIKey is CMDGHEJUCIPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-27-13-6-4-12(5-7-13)24-17(26)15-3-2-8-25(15)16-14(19)9-11(10-23-16)18(20,21)22/h2-10H,1H3,(H,24,26).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 1479250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).