N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide

C17H18N4O3 — CID 108947860

IUPACN'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(22)20-14-2-4-15(5-3-14)21-17(24)10-16(23)19-11-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyFQSMRHVQBXGRPB-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.68
Rot. Bonds6

About N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide

N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108947860) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
PubChem CID108947860
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(22)20-14-2-4-15(5-3-14)21-17(24)10-16(23)19-11-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyFQSMRHVQBXGRPB-UHFFFAOYSA-N
XLogP1.68
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide
CID 50843961
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N'-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947828
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide (CID 108947860) is N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide is CC(=O)Nc1ccc(NC(=O)CC(=O)NCc2ccncc2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is FQSMRHVQBXGRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(22)20-14-2-4-15(5-3-14)21-17(24)10-16(23)19-11-13-6-8-18-9-7-13/h2-9H,10-11H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide?
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 326.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108947860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).