N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide

C20H18F3N3O3 — CID 176504859

IUPACN-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cc(C(=O)N2CC=CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O3/c1-29-17-12-24-6-5-16(17)18(27)25-15-10-13(9-14(11-15)20(21,22)23)19(28)26-7-3-2-4-8-26/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,27)
InChIKeyWQWVKRMCDCZARI-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.76
Rot. Bonds4

About N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide

N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide (PubChem CID 176504859) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide
PubChem CID176504859
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1cc(C(=O)N2CC=CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O3/c1-29-17-12-24-6-5-16(17)18(27)25-15-10-13(9-14(11-15)20(21,22)23)19(28)26-7-3-2-4-8-26/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,27)
InChIKeyWQWVKRMCDCZARI-UHFFFAOYSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 116700273
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
N-[5-(3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dimethoxyphenyl]-3-methylimidazole-4-carboxamide
CID 176503729
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
3-methoxy-N-(3-sulfamoylphenyl)pyridine-4-carboxamide
CID 105064331
5-(2-aminopyrimidin-5-yl)-2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)-5-(trifluoromethyl)phenyl]benzamide
CID 70860513
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide (CID 176504859) is N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1cc(C(=O)N2CC=CCC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is WQWVKRMCDCZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-29-17-12-24-6-5-16(17)18(27)25-15-10-13(9-14(11-15)20(21,22)23)19(28)26-7-3-2-4-8-26/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,27).
What are the key properties of N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide?
N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-5-(trifluoromethyl)phenyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 176504859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).