N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C20H23F3N4O4 — CID 126474165

IUPACN-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCCNc1nc(-c2cccc(OC(F)(F)F)c2)ccc1C(=O)NCCNC(C)=O
InChIInChI=1S/C20H23F3N4O4/c1-13(28)24-8-9-26-19(29)16-6-7-17(27-18(16)25-10-11-30-2)14-4-3-5-15(12-14)31-20(21,22)23/h3-7,12H,8-11H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyWNXKCWXOYOJORC-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.57
Rot. Bonds10

About N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 126474165) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID126474165
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC NameN-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCOCCNc1nc(-c2cccc(OC(F)(F)F)c2)ccc1C(=O)NCCNC(C)=O
InChIInChI=1S/C20H23F3N4O4/c1-13(28)24-8-9-26-19(29)16-6-7-17(27-18(16)25-10-11-30-2)14-4-3-5-15(12-14)31-20(21,22)23/h3-7,12H,8-11H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyWNXKCWXOYOJORC-UHFFFAOYSA-N
XLogP2.57
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
2-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468698
N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethoxy)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 24831015
N-(2-morpholinoethyl)-3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide
CID 44194683
N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 135982344
6-[benzyl(ethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 25218733
2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide
CID 146048092
Ethyl 1-butyl-7-[4-(difluoromethoxy)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2409116
1-ethyl-N~3~-(4-methoxyphenethyl)-7-methyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
CID 2470993
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-4,6-dimethylpyridine-3-carboxamide
CID 44324012
7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 44403630

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 126474165) is N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is COCCNc1nc(-c2cccc(OC(F)(F)F)c2)ccc1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is WNXKCWXOYOJORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-13(28)24-8-9-26-19(29)16-6-7-17(27-18(16)25-10-11-30-2)14-4-3-5-15(12-14)31-20(21,22)23/h3-7,12H,8-11H2,1-2H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 440.42 g/mol, XLogP of 2.57, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2-methoxyethylamino)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126474165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).