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

C19H17ClF3N3O — CID 25224408

IUPAC(3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESC[C@@H]1CN(c2ncccc2Cl)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N3O/c1-12-11-26(17-16(20)3-2-9-24-17)10-8-15(12)18(27)25-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,25,27)/t12-/m1/s1
InChIKeyIYXRQYVHUISAIP-GFCCVEGCSA-N
MW395.81 g/mol
LogP4.78
Rot. Bonds3

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

(3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 25224408) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID25224408
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name(3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESC[C@@H]1CN(c2ncccc2Cl)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N3O/c1-12-11-26(17-16(20)3-2-9-24-17)10-8-15(12)18(27)25-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,25,27)/t12-/m1/s1
InChIKeyIYXRQYVHUISAIP-GFCCVEGCSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 25224408) is (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is C[C@@H]1CN(c2ncccc2Cl)CC=C1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is IYXRQYVHUISAIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c1-12-11-26(17-16(20)3-2-9-24-17)10-8-15(12)18(27)25-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,25,27)/t12-/m1/s1.
What are the key properties of (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
(3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 395.81 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-2-pyridinyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 25224408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).