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

C18H20N4O — CID 109195813

IUPAC5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C18H20N4O/c1-2-3-4-11-20-18(23)17-10-9-16(13-21-17)22-15-7-5-14(12-19)6-8-15/h5-10,13,22H,2-4,11H2,1H3,(H,20,23)
InChIKeyBWHPEDJYTFIXPR-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.62
Rot. Bonds7

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

5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109195813) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109195813
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C18H20N4O/c1-2-3-4-11-20-18(23)17-10-9-16(13-21-17)22-15-7-5-14(12-19)6-8-15/h5-10,13,22H,2-4,11H2,1H3,(H,20,23)
InChIKeyBWHPEDJYTFIXPR-UHFFFAOYSA-N
XLogP3.62
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
N-[(4-chlorophenyl)methyl]-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109190063
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide (CID 109195813) is 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is BWHPEDJYTFIXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-3-4-11-20-18(23)17-10-9-16(13-21-17)22-15-7-5-14(12-19)6-8-15/h5-10,13,22H,2-4,11H2,1H3,(H,20,23).
What are the key properties of 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide?
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109195813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).