N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide

C16H18N2O2 — CID 109468089

IUPACN-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
SMILESCCN(CCO)C(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-18(8-9-19)16(20)15-10-14(11-17-12-15)13-6-4-3-5-7-13/h3-7,10-12,19H,2,8-9H2,1H3
InChIKeyRJOINUGPCODAEP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide (PubChem CID 109468089) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
PubChem CID109468089
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
SMILESCCN(CCO)C(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-18(8-9-19)16(20)15-10-14(11-17-12-15)13-6-4-3-5-7-13/h3-7,10-12,19H,2,8-9H2,1H3
InChIKeyRJOINUGPCODAEP-UHFFFAOYSA-N
XLogP2.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide (CID 109468089) is N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide is CCN(CCO)C(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide?
The InChIKey is RJOINUGPCODAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-18(8-9-19)16(20)15-10-14(11-17-12-15)13-6-4-3-5-7-13/h3-7,10-12,19H,2,8-9H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109468089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).