3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

C15H18N4O2 — CID 61103566

IUPAC3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2cc(N)cc(N)c2)ccc1=O
InChIInChI=1S/C15H18N4O2/c1-2-5-19-9-13(3-4-14(19)20)18-15(21)10-6-11(16)8-12(17)7-10/h3-4,6-9H,2,5,16-17H2,1H3,(H,18,21)
InChIKeyQJLCKMNUOPRWOK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.67
Rot. Bonds4

About 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (PubChem CID 61103566) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
PubChem CID61103566
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2cc(N)cc(N)c2)ccc1=O
InChIInChI=1S/C15H18N4O2/c1-2-5-19-9-13(3-4-14(19)20)18-15(21)10-6-11(16)8-12(17)7-10/h3-4,6-9H,2,5,16-17H2,1H3,(H,18,21)
InChIKeyQJLCKMNUOPRWOK-UHFFFAOYSA-N
XLogP1.67
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 64524894
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931
6-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 63973346
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 52658974
4-(dimethylamino)-3-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 51096607
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
CID 61103547
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
2-amino-4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)pentanamide
CID 54862542
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 80973094
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The IUPAC name of 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (CID 61103566) is 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is CCCn1cc(NC(=O)c2cc(N)cc(N)c2)ccc1=O.
What is the InChIKey of 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The InChIKey is QJLCKMNUOPRWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-5-19-9-13(3-4-14(19)20)18-15(21)10-6-11(16)8-12(17)7-10/h3-4,6-9H,2,5,16-17H2,1H3,(H,18,21).
What are the key properties of 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is sourced from PubChem (CID 61103566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).