N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide

C23H25N3O — CID 109160792

IUPACN-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCCc2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-26(21-13-7-4-8-14-21)23(27)20-15-16-22(25-18-20)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3,(H,24,25)
InChIKeyIWVIJMKOMDTAEX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.79
Rot. Bonds8

About N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide

N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109160792) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109160792
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCCCc2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-26(21-13-7-4-8-14-21)23(27)20-15-16-22(25-18-20)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3,(H,24,25)
InChIKeyIWVIJMKOMDTAEX-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
6-[2-(dimethylamino)ethylamino]-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109153781
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109160792) is N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide is CCN(C(=O)c1ccc(NCCCc2ccccc2)nc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is IWVIJMKOMDTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-26(21-13-7-4-8-14-21)23(27)20-15-16-22(25-18-20)24-17-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-16,18H,2,9,12,17H2,1H3,(H,24,25).
What are the key properties of N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109160792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).