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

C21H21N3O — CID 109160785

IUPACN-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C21H21N3O/c25-21(24-19-11-5-2-6-12-19)18-13-14-20(23-16-18)22-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,22,23)(H,24,25)
InChIKeyUKBHOLVNJKQNCT-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.38
Rot. Bonds7

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

N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109160785) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109160785
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C21H21N3O/c25-21(24-19-11-5-2-6-12-19)18-13-14-20(23-16-18)22-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,22,23)(H,24,25)
InChIKeyUKBHOLVNJKQNCT-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.38
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

N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160796
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160795
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
N-[6-(2-phenylethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 113013043
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109160785) is N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is UKBHOLVNJKQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(24-19-11-5-2-6-12-19)18-13-14-20(23-16-18)22-15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,22,23)(H,24,25).
What are the key properties of N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide?
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109160785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).