2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C14H15N3O2 — CID 115116136

IUPAC2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccnc(CO)c1
InChIInChI=1S/C14H15N3O2/c18-10-13-9-11(4-7-16-13)14(19)17-8-5-12-3-1-2-6-15-12/h1-4,6-7,9,18H,5,8,10H2,(H,17,19)
InChIKeyZMTKWBSAULDYMJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.94
Rot. Bonds5

About 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 115116136) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID115116136
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccnc(CO)c1
InChIInChI=1S/C14H15N3O2/c18-10-13-9-11(4-7-16-13)14(19)17-8-5-12-3-1-2-6-15-12/h1-4,6-7,9,18H,5,8,10H2,(H,17,19)
InChIKeyZMTKWBSAULDYMJ-UHFFFAOYSA-N
XLogP0.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116140
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
2-chloro-6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62236748

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 115116136) is 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is O=C(NCCc1ccccn1)c1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is ZMTKWBSAULDYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-10-13-9-11(4-7-16-13)14(19)17-8-5-12-3-1-2-6-15-12/h1-4,6-7,9,18H,5,8,10H2,(H,17,19).
What are the key properties of 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).