N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide

C16H18N2O2 — CID 111477571

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-13(9-17-8-11)16(20)18-10-15(19)14-6-4-3-5-12(14)2/h3-9,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyMBOVUJQWNGWYPP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.16
Rot. Bonds4

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide (PubChem CID 111477571) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
PubChem CID111477571
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-13(9-17-8-11)16(20)18-10-15(19)14-6-4-3-5-12(14)2/h3-9,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyMBOVUJQWNGWYPP-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 96530833
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111119709
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide (CID 111477571) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC(O)c2ccccc2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is MBOVUJQWNGWYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-13(9-17-8-11)16(20)18-10-15(19)14-6-4-3-5-12(14)2/h3-9,15,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 111477571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).