5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C16H16F3N3O3 — CID 174836469

IUPAC5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCN(CCO)c1cncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3N3O3/c1-22(6-7-23)13-8-11(9-20-10-13)15(24)21-12-2-4-14(5-3-12)25-16(17,18)19/h2-5,8-10,23H,6-7H2,1H3,(H,21,24)
InChIKeyMCBCSLYHONEVHT-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.66
Rot. Bonds6

About 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 174836469) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID174836469
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCN(CCO)c1cncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3N3O3/c1-22(6-7-23)13-8-11(9-20-10-13)15(24)21-12-2-4-14(5-3-12)25-16(17,18)19/h2-5,8-10,23H,6-7H2,1H3,(H,21,24)
InChIKeyMCBCSLYHONEVHT-UHFFFAOYSA-N
XLogP2.66
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-hydroxyethyl(methyl)amino]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 174819261
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 134506867
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919391

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 174836469) is 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CN(CCO)c1cncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is MCBCSLYHONEVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-22(6-7-23)13-8-11(9-20-10-13)15(24)21-12-2-4-14(5-3-12)25-16(17,18)19/h2-5,8-10,23H,6-7H2,1H3,(H,21,24).
What are the key properties of 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 174836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).