5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide

C16H16N4O — CID 109179230

IUPAC5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C16H16N4O/c1-2-9-18-16(21)15-8-7-14(11-19-15)20-13-5-3-12(10-17)4-6-13/h3-8,11,20H,2,9H2,1H3,(H,18,21)
InChIKeyGOLJJRGYYZBTAV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds5

About 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide

5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide (PubChem CID 109179230) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
PubChem CID109179230
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C16H16N4O/c1-2-9-18-16(21)15-8-7-14(11-19-15)20-13-5-3-12(10-17)4-6-13/h3-8,11,20H,2,9H2,1H3,(H,18,21)
InChIKeyGOLJJRGYYZBTAV-UHFFFAOYSA-N
XLogP2.84
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
CID 109338626
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179210
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide
CID 109179216
5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109200559
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide (CID 109179230) is 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide?
The InChIKey is GOLJJRGYYZBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-9-18-16(21)15-8-7-14(11-19-15)20-13-5-3-12(10-17)4-6-13/h3-8,11,20H,2,9H2,1H3,(H,18,21).
What are the key properties of 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide?
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).