4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide

C26H29N5O — CID 88875593

IUPAC4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide
SMILES[H]/N=C(\c1ccncc1)c1cc(C(=O)NC2CC(Cc3ccccc3)CN(C)C2)ccc1N
InChIInChI=1S/C26H29N5O/c1-31-16-19(13-18-5-3-2-4-6-18)14-22(17-31)30-26(32)21-7-8-24(27)23(15-21)25(28)20-9-11-29-12-10-20/h2-12,15,19,22,28H,13-14,16-17,27H2,1H3,(H,30,32)/b28-25+
InChIKeyPXXCFKYWJRAKNT-AZPGRJICSA-N
MW427.55 g/mol
LogP3.37
Rot. Bonds6

About 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide

4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide (PubChem CID 88875593) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide
PubChem CID88875593
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide
SMILES[H]/N=C(\c1ccncc1)c1cc(C(=O)NC2CC(Cc3ccccc3)CN(C)C2)ccc1N
InChIInChI=1S/C26H29N5O/c1-31-16-19(13-18-5-3-2-4-6-18)14-22(17-31)30-26(32)21-7-8-24(27)23(15-21)25(28)20-9-11-29-12-10-20/h2-12,15,19,22,28H,13-14,16-17,27H2,1H3,(H,30,32)/b28-25+
InChIKeyPXXCFKYWJRAKNT-AZPGRJICSA-N
XLogP3.37
TPSA95.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide?
The IUPAC name of 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide (CID 88875593) is 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide.
What is the SMILES notation for 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide?
The canonical SMILES for 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide is [H]/N=C(\c1ccncc1)c1cc(C(=O)NC2CC(Cc3ccccc3)CN(C)C2)ccc1N.
What is the InChIKey of 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide?
The InChIKey is PXXCFKYWJRAKNT-AZPGRJICSA-N. The full InChI is InChI=1S/C26H29N5O/c1-31-16-19(13-18-5-3-2-4-6-18)14-22(17-31)30-26(32)21-7-8-24(27)23(15-21)25(28)20-9-11-29-12-10-20/h2-12,15,19,22,28H,13-14,16-17,27H2,1H3,(H,30,32)/b28-25+.
What are the key properties of 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide?
4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-benzyl-1-methylpiperidin-3-yl)-3-(pyridine-4-carboximidoyl)benzamide is sourced from PubChem (CID 88875593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).