N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide

C22H23N3O — CID 109169444

IUPACN-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c26-22(25-17-19-10-5-2-6-11-19)20-13-15-24-21(16-20)23-14-7-12-18-8-3-1-4-9-18/h1-6,8-11,13,15-16H,7,12,14,17H2,(H,23,24)(H,25,26)
InChIKeyZMPCSWYWEBSZTC-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.06
Rot. Bonds8

About N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide

N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide (PubChem CID 109169444) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
PubChem CID109169444
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c26-22(25-17-19-10-5-2-6-11-19)20-13-15-24-21(16-20)23-14-7-12-18-8-3-1-4-9-18/h1-6,8-11,13,15-16H,7,12,14,17H2,(H,23,24)(H,25,26)
InChIKeyZMPCSWYWEBSZTC-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109174892
2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167158
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide (CID 109169444) is N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(NCCCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The InChIKey is ZMPCSWYWEBSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(25-17-19-10-5-2-6-11-19)20-13-15-24-21(16-20)23-14-7-12-18-8-3-1-4-9-18/h1-6,8-11,13,15-16H,7,12,14,17H2,(H,23,24)(H,25,26).
What are the key properties of N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109169444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).