5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

C18H20N4O — CID 109195596

IUPAC5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C18H20N4O/c1-13(2)9-10-20-18(23)17-8-7-15(12-21-17)22-16-6-4-3-5-14(16)11-19/h3-8,12-13,22H,9-10H2,1-2H3,(H,20,23)
InChIKeyQDILAMSROXIXNU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.47
Rot. Bonds6

About 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109195596) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109195596
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C18H20N4O/c1-13(2)9-10-20-18(23)17-8-7-15(12-21-17)22-16-6-4-3-5-14(16)11-19/h3-8,12-13,22H,9-10H2,1-2H3,(H,20,23)
InChIKeyQDILAMSROXIXNU-UHFFFAOYSA-N
XLogP3.47
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550
5-(2,3-dimethylanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195520
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
methyl 3-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200498

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109195596) is 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1ccc(Nc2ccccc2C#N)cn1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is QDILAMSROXIXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)9-10-20-18(23)17-8-7-15(12-21-17)22-16-6-4-3-5-14(16)11-19/h3-8,12-13,22H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).