1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide

C19H15ClF3N3O — CID 1479252

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C19H15ClF3N3O/c1-11-6-12(2)8-14(7-11)25-18(27)16-4-3-5-26(16)17-15(20)9-13(10-24-17)19(21,22)23/h3-10H,1-2H3,(H,25,27)
InChIKeyNKJPTMCTAJYUQK-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.41
Rot. Bonds3

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide (PubChem CID 1479252) has the molecular formula C19H15ClF3N3O and a molecular weight of 393.80 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
PubChem CID1479252
Molecular FormulaC19H15ClF3N3O
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C19H15ClF3N3O/c1-11-6-12(2)8-14(7-11)25-18(27)16-4-3-5-26(16)17-15(20)9-13(10-24-17)19(21,22)23/h3-10H,1-2H3,(H,25,27)
InChIKeyNKJPTMCTAJYUQK-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide (CID 1479252) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
The InChIKey is NKJPTMCTAJYUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O/c1-11-6-12(2)8-14(7-11)25-18(27)16-4-3-5-26(16)17-15(20)9-13(10-24-17)19(21,22)23/h3-10H,1-2H3,(H,25,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide has a molecular weight of 393.80 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 1479252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).