3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide

C17H18N4O3 — CID 18107560

IUPAC3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H18N4O3/c1-11(22)20-15-7-13(8-16(9-15)21-12(2)23)17(24)19-10-14-5-3-4-6-18-14/h3-9H,10H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyDPPRNOYMSJRYHW-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.93
Rot. Bonds5

About 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide

3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 18107560) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
PubChem CID18107560
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H18N4O3/c1-11(22)20-15-7-13(8-16(9-15)21-12(2)23)17(24)19-10-14-5-3-4-6-18-14/h3-9H,10H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyDPPRNOYMSJRYHW-UHFFFAOYSA-N
XLogP1.93
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide (CID 18107560) is 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DPPRNOYMSJRYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11(22)20-15-7-13(8-16(9-15)21-12(2)23)17(24)19-10-14-5-3-4-6-18-14/h3-9H,10H2,1-2H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide?
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 18107560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).