N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

C18H19F3N2O4 — CID 592182

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C18H19F3N2O4/c1-23(10-11-5-6-12(25-2)7-15(11)26-3)17(24)13-9-22-16(27-4)8-14(13)18(19,20)21/h5-9H,10H2,1-4H3
InChIKeyJNAUOMBXKWDJLJ-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.40
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 592182) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID592182
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C18H19F3N2O4/c1-23(10-11-5-6-12(25-2)7-15(11)26-3)17(24)13-9-22-16(27-4)8-14(13)18(19,20)21/h5-9H,10H2,1-4H3
InChIKeyJNAUOMBXKWDJLJ-UHFFFAOYSA-N
XLogP3.40
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2-Methyl-2,7-Naphthyridin-1-One
CID 118796358
N-(2,6-dimethoxybenzyl)-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2727328
(E)-1-pyridin-3-yl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19553304
4-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 127051727
8-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
CID 127052023
N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6887786
N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 668901
N-(2-Methoxy-benzyl)-nicotinamide
CID 668902
2,4-dimethoxy-N-(pyridin-4-yl)benzamide
CID 686175
1-(2,6-Dimethoxybenzoyl)-4-(4-pyridinylmethyl)piperazine
CID 695011
(2,6-Dimethoxy-phenyl)-(4-pyridin-3-ylmethyl-piperazin-1-yl)-methanone
CID 1112890
(3,5-Dimethoxy-phenyl)-[4-(pyridine-3-carbonyl)-piperazin-1-yl]-methanone
CID 1147892

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 592182) is N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(CN(C)C(=O)c2cnc(OC)cc2C(F)(F)F)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JNAUOMBXKWDJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-23(10-11-5-6-12(25-2)7-15(11)26-3)17(24)13-9-22-16(27-4)8-14(13)18(19,20)21/h5-9H,10H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 592182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).