2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide

C16H18N4O2 — CID 108999289

IUPAC2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H18N4O2/c1-12(21)20-14-7-5-13(6-8-14)18-11-16(22)19-10-15-4-2-3-9-17-15/h2-9,18H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJHCIOZQFHYSMGK-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.77
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108999289) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108999289
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H18N4O2/c1-12(21)20-14-7-5-13(6-8-14)18-11-16(22)19-10-15-4-2-3-9-17-15/h2-9,18H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJHCIOZQFHYSMGK-UHFFFAOYSA-N
XLogP1.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 108999289) is 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)Nc1ccc(NCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JHCIOZQFHYSMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12(21)20-14-7-5-13(6-8-14)18-11-16(22)19-10-15-4-2-3-9-17-15/h2-9,18H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108999289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).