N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide

C16H16N4O — CID 63723674

IUPACN-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(C#N)cn1)c1cccc(N)c1
InChIInChI=1S/C16H16N4O/c1-2-8-20(14-5-3-4-13(18)9-14)16(21)15-7-6-12(10-17)11-19-15/h3-7,9,11H,2,8,18H2,1H3
InChIKeyFOOPIABWRDTEFR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.59
Rot. Bonds4

About N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide

N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide (PubChem CID 63723674) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
PubChem CID63723674
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(C#N)cn1)c1cccc(N)c1
InChIInChI=1S/C16H16N4O/c1-2-8-20(14-5-3-4-13(18)9-14)16(21)15-7-6-12(10-17)11-19-15/h3-7,9,11H,2,8,18H2,1H3
InChIKeyFOOPIABWRDTEFR-UHFFFAOYSA-N
XLogP2.59
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide (CID 63723674) is N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ccc(C#N)cn1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide?
The InChIKey is FOOPIABWRDTEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-8-20(14-5-3-4-13(18)9-14)16(21)15-7-6-12(10-17)11-19-15/h3-7,9,11H,2,8,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide?
N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 63723674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).