2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide

C20H18N2O3 — CID 166384916

IUPAC2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccnc(CO)c1
InChIInChI=1S/C20H18N2O3/c23-14-17-12-16(9-10-21-17)20(24)22-13-15-5-4-8-19(11-15)25-18-6-2-1-3-7-18/h1-12,23H,13-14H2,(H,22,24)
InChIKeyGMPIIRBPXNLJJB-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.30
Rot. Bonds6

About 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide

2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 166384916) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID166384916
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccnc(CO)c1
InChIInChI=1S/C20H18N2O3/c23-14-17-12-16(9-10-21-17)20(24)22-13-15-5-4-8-19(11-15)25-18-6-2-1-3-7-18/h1-12,23H,13-14H2,(H,22,24)
InChIKeyGMPIIRBPXNLJJB-UHFFFAOYSA-N
XLogP3.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
CID 58247766
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
3-(aminomethyl)-6-[3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91338091
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
3-(ethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576293

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide (CID 166384916) is 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1cccc(Oc2ccccc2)c1)c1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is GMPIIRBPXNLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-14-17-12-16(9-10-21-17)20(24)22-13-15-5-4-8-19(11-15)25-18-6-2-1-3-7-18/h1-12,23H,13-14H2,(H,22,24).
What are the key properties of 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide?
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 166384916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).