N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide

C16H16F3N3O2 — CID 136572532

IUPACN-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NCCO)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C16H16F3N3O2/c1-10-8-11(4-5-20-10)15(24)22-12-2-3-14(21-6-7-23)13(9-12)16(17,18)19/h2-5,8-9,21,23H,6-7H2,1H3,(H,22,24)
InChIKeyKOLYDUZSXYDLTD-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.07
Rot. Bonds5

About N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide

N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 136572532) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide
PubChem CID136572532
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NCCO)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C16H16F3N3O2/c1-10-8-11(4-5-20-10)15(24)22-12-2-3-14(21-6-7-23)13(9-12)16(17,18)19/h2-5,8-9,21,23H,6-7H2,1H3,(H,22,24)
InChIKeyKOLYDUZSXYDLTD-UHFFFAOYSA-N
XLogP3.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide
CID 136572531
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916
N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
CID 106753258
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(2-hydroxyethylamino)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 162593302
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide (CID 136572532) is N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(NCCO)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is KOLYDUZSXYDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-8-11(4-5-20-10)15(24)22-12-2-3-14(21-6-7-23)13(9-12)16(17,18)19/h2-5,8-9,21,23H,6-7H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide?
N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 136572532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).