N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide

C23H25N3O — CID 109174862

IUPACN-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-26(21-13-7-4-8-14-21)23(27)20-15-17-25-22(18-20)24-16-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-15,17-18H,2,9,12,16H2,1H3,(H,24,25)
InChIKeyOOOWABSYMMDFHO-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.79
Rot. Bonds8

About N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide

N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide (PubChem CID 109174862) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
PubChem CID109174862
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-2-26(21-13-7-4-8-14-21)23(27)20-15-17-25-22(18-20)24-16-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-15,17-18H,2,9,12,16H2,1H3,(H,24,25)
InChIKeyOOOWABSYMMDFHO-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-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109170820
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109172719
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109173399

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide (CID 109174862) is N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide is CCN(C(=O)c1ccnc(NCCCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The InChIKey is OOOWABSYMMDFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-26(21-13-7-4-8-14-21)23(27)20-15-17-25-22(18-20)24-16-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-15,17-18H,2,9,12,16H2,1H3,(H,24,25).
What are the key properties of N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-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-2-(3-phenylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109174862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).