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'}

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Related Compounds

4-amino-N-benzyl-3-[4-(1-methylpiperidin-4-yl)oxybenzenecarboximidoyl]benzamide
CID 134567100
4-amino-N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(pyridine-4-carboximidoyl)benzamide
CID 162589932
4-amino-N-benzyl-3-[4-[[8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzenecarboximidoyl]benzamide
CID 134567414
4-amino-N-[cyclobutyl(pyridin-2-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxybenzenecarboximidoyl]benzamide
CID 134567109
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
4-amino-N-(2-ethyl-2-phenylbutyl)-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzenecarboximidoyl]benzamide
CID 134567428
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
ethyl 5-benzyl-1-methylpiperidine-3-carboxylate
CID 66614658
N-[5-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-yl]-2-methylpropanamide
CID 112542536
4-amino-3-[4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidoyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide
CID 123291567
4-amino-N-(3-hydroxy-1-phenylpropyl)-3-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidoyl]benzamide
CID 144602674
4-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]-3-[4-(2-methyl-4-methylphosphanyl-6-propylpiperidin-1-yl)benzenecarboximidoyl]benzamide
CID 134567319

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).