4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide

C15H16N4O2 — CID 18315403

IUPAC4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1N
InChIInChI=1S/C15H16N4O2/c1-10(20)19-14-6-5-11(8-13(14)16)15(21)18-9-12-4-2-3-7-17-12/h2-8H,9,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyDWRNYIQBEGDPIO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.55
Rot. Bonds4

About 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide

4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 18315403) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
PubChem CID18315403
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1N
InChIInChI=1S/C15H16N4O2/c1-10(20)19-14-6-5-11(8-13(14)16)15(21)18-9-12-4-2-3-7-17-12/h2-8H,9,16H2,1H3,(H,18,21)(H,19,20)
InChIKeyDWRNYIQBEGDPIO-UHFFFAOYSA-N
XLogP1.55
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3,5-diacetamido-N-(pyridin-2-ylmethyl)benzamide
CID 18107560
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
1-N-(pyridin-2-ylmethyl)-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055054
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide (CID 18315403) is 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1N.
What is the InChIKey of 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is DWRNYIQBEGDPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(20)19-14-6-5-11(8-13(14)16)15(21)18-9-12-4-2-3-7-17-12/h2-8H,9,16H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide?
4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 284.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 18315403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).