3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H16N4O — CID 114698194

IUPAC3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H16N4O/c1-9-7-17-3-2-10(9)8-18-14(19)11-4-12(15)6-13(16)5-11/h2-7H,8,15-16H2,1H3,(H,18,19)
InChIKeyGESSXXAPPJPVQM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds3

About 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide

3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114698194) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114698194
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H16N4O/c1-9-7-17-3-2-10(9)8-18-14(19)11-4-12(15)6-13(16)5-11/h2-7H,8,15-16H2,1H3,(H,18,19)
InChIKeyGESSXXAPPJPVQM-UHFFFAOYSA-N
XLogP1.48
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.48
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

3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 114698174
3-carbamothioyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700470
2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701884
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114698194) is 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is GESSXXAPPJPVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-7-17-3-2-10(9)8-18-14(19)11-4-12(15)6-13(16)5-11/h2-7H,8,15-16H2,1H3,(H,18,19).
What are the key properties of 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114698194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).