N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide

C14H15N3O2 — CID 82089213

IUPACN-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncccc2CO)c1
InChIInChI=1S/C14H15N3O2/c1-10(19)16-12-5-2-6-13(8-12)17-14-11(9-18)4-3-7-15-14/h2-8,18H,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyFKQWVNQQNCTSPC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.28
Rot. Bonds4

About N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide

N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide (PubChem CID 82089213) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
PubChem CID82089213
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncccc2CO)c1
InChIInChI=1S/C14H15N3O2/c1-10(19)16-12-5-2-6-13(8-12)17-14-11(9-18)4-3-7-15-14/h2-8,18H,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyFKQWVNQQNCTSPC-UHFFFAOYSA-N
XLogP2.28
TPSA74.25 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 ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
CID 82084693
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
CID 82087006
N-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343590
N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
CID 39773386
sodium 2-[2-(3,4-dichloroanilino)-3-pyridinyl]acetate
CID 67938917

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide (CID 82089213) is N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncccc2CO)c1.
What is the InChIKey of N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide?
The InChIKey is FKQWVNQQNCTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(19)16-12-5-2-6-13(8-12)17-14-11(9-18)4-3-7-15-14/h2-8,18H,9H2,1H3,(H,15,17)(H,16,19).
What are the key properties of N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide?
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 82089213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).