4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

C18H20N4O — CID 109217376

IUPAC4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C18H20N4O/c1-13(2)7-9-21-18(23)17-11-16(8-10-20-17)22-15-5-3-14(12-19)4-6-15/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFZGJLFDIPXXSNC-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.47
Rot. Bonds6

About 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109217376) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109217376
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C18H20N4O/c1-13(2)7-9-21-18(23)17-11-16(8-10-20-17)22-15-5-3-14(12-19)4-6-15/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFZGJLFDIPXXSNC-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 ≤ 500308.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
4-cyano-N-(4-methylpentyl)pyridine-2-carboxamide
CID 115116900
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211244
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
2-(3-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311960
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109217376) is 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc(Nc2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is FZGJLFDIPXXSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)7-9-21-18(23)17-11-16(8-10-20-17)22-15-5-3-14(12-19)4-6-15/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 308.39 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 4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).