N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide

C14H15N3O2 — CID 81090318

IUPACN-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
SMILESNCc1ccc(CNC(=O)c2cncc(O)c2)cc1
InChIInChI=1S/C14H15N3O2/c15-6-10-1-3-11(4-2-10)7-17-14(19)12-5-13(18)9-16-8-12/h1-5,8-9,18H,6-7,15H2,(H,17,19)
InChIKeyROWHOYXCZUIJSS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.18
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 81090318) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
PubChem CID81090318
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
SMILESNCc1ccc(CNC(=O)c2cncc(O)c2)cc1
InChIInChI=1S/C14H15N3O2/c15-6-10-1-3-11(4-2-10)7-17-14(19)12-5-13(18)9-16-8-12/h1-5,8-9,18H,6-7,15H2,(H,17,19)
InChIKeyROWHOYXCZUIJSS-UHFFFAOYSA-N
XLogP1.18
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63859223
5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide (CID 81090318) is N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide is NCc1ccc(CNC(=O)c2cncc(O)c2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is ROWHOYXCZUIJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-6-10-1-3-11(4-2-10)7-17-14(19)12-5-13(18)9-16-8-12/h1-5,8-9,18H,6-7,15H2,(H,17,19).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 81090318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).