N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide

C15H16N2O2 — CID 51985113

IUPACN-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CCO)cc2)cn1
InChIInChI=1S/C15H16N2O2/c1-11-2-5-13(10-16-11)15(19)17-14-6-3-12(4-7-14)8-9-18/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyHJETXJAGBGYIIX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.18
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide

N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 51985113) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID51985113
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(CCO)cc2)cn1
InChIInChI=1S/C15H16N2O2/c1-11-2-5-13(10-16-11)15(19)17-14-6-3-12(4-7-14)8-9-18/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyHJETXJAGBGYIIX-UHFFFAOYSA-N
XLogP2.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide (CID 51985113) is N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(CCO)cc2)cn1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is HJETXJAGBGYIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-2-5-13(10-16-11)15(19)17-14-6-3-12(4-7-14)8-9-18/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 51985113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).