2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C14H15N3O2 — CID 115116120

IUPAC2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccnc(CO)c1
InChIInChI=1S/C14H15N3O2/c1-17(9-11-3-2-5-15-8-11)14(19)12-4-6-16-13(7-12)10-18/h2-8,18H,9-10H2,1H3
InChIKeyICMJEWFPIUWFFI-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.24
Rot. Bonds4

About 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 115116120) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID115116120
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccnc(CO)c1
InChIInChI=1S/C14H15N3O2/c1-17(9-11-3-2-5-15-8-11)14(19)12-4-6-16-13(7-12)10-18/h2-8,18H,9-10H2,1H3
InChIKeyICMJEWFPIUWFFI-UHFFFAOYSA-N
XLogP1.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 115116120) is 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is CN(Cc1cccnc1)C(=O)c1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ICMJEWFPIUWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(9-11-3-2-5-15-8-11)14(19)12-4-6-16-13(7-12)10-18/h2-8,18H,9-10H2,1H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).