1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C19H17ClF3N3O — CID 11474940

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H17ClF3N3O/c1-12-4-5-14(11-15(12)19(21,22)23)25-18(27)13-6-9-26(10-7-13)17-16(20)3-2-8-24-17/h2-6,8,11H,7,9-10H2,1H3,(H,25,27)
InChIKeyQXHPSFVKOJZJJN-UHFFFAOYSA-N
MW395.81 g/mol
LogP4.84
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11474940) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11474940
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1C(F)(F)F
InChIInChI=1S/C19H17ClF3N3O/c1-12-4-5-14(11-15(12)19(21,22)23)25-18(27)13-6-9-26(10-7-13)17-16(20)3-2-8-24-17/h2-6,8,11H,7,9-10H2,1H3,(H,25,27)
InChIKeyQXHPSFVKOJZJJN-UHFFFAOYSA-N
XLogP4.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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Related Compounds

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4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
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N-(4-Chlorophenyl)-1-(3-(trifluoromethyl)pyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11176490
N-(4-Chloro-2-fluorophenyl)-1-(3-chloropyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11474940) is 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is QXHPSFVKOJZJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c1-12-4-5-14(11-15(12)19(21,22)23)25-18(27)13-6-9-26(10-7-13)17-16(20)3-2-8-24-17/h2-6,8,11H,7,9-10H2,1H3,(H,25,27).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 395.81 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11474940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).