N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide

C21H20F3N3O — CID 143533790

IUPACN,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide
SMILESCc1cccc(C2CN=C(c3cccc(C(=O)N(C)C)n3)C=C2C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O/c1-13-6-4-7-14(10-13)15-12-25-19(11-16(15)21(22,23)24)17-8-5-9-18(26-17)20(28)27(2)3/h4-11,15H,12H2,1-3H3
InChIKeySYCJZDGEKNHVRH-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.17
Rot. Bonds3

About N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide

N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide (PubChem CID 143533790) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide
PubChem CID143533790
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide
SMILESCc1cccc(C2CN=C(c3cccc(C(=O)N(C)C)n3)C=C2C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O/c1-13-6-4-7-14(10-13)15-12-25-19(11-16(15)21(22,23)24)17-8-5-9-18(26-17)20(28)27(2)3/h4-11,15H,12H2,1-3H3
InChIKeySYCJZDGEKNHVRH-UHFFFAOYSA-N
XLogP4.17
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide (CID 143533790) is N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide is Cc1cccc(C2CN=C(c3cccc(C(=O)N(C)C)n3)C=C2C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is SYCJZDGEKNHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-13-6-4-7-14(10-13)15-12-25-19(11-16(15)21(22,23)24)17-8-5-9-18(26-17)20(28)27(2)3/h4-11,15H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide?
N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 143533790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).