N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide

C17H18N4O — CID 113037039

IUPACN-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C17H18N4O/c1-2-3-8-17(22)21-16-10-9-14(12-19-16)20-15-7-5-4-6-13(15)11-18/h4-7,9-10,12,20H,2-3,8H2,1H3,(H,19,21,22)
InChIKeyXFYJDLBBNUIBJH-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.83
Rot. Bonds6

About N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide

N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide (PubChem CID 113037039) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
PubChem CID113037039
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C17H18N4O/c1-2-3-8-17(22)21-16-10-9-14(12-19-16)20-15-7-5-4-6-13(15)11-18/h4-7,9-10,12,20H,2-3,8H2,1H3,(H,19,21,22)
InChIKeyXFYJDLBBNUIBJH-UHFFFAOYSA-N
XLogP3.83
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
CID 113033187
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[5-(2-cyanoanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113037046
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]pentanamide
CID 113032811
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[6-(2-cyanoanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113022689

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide?
The IUPAC name of N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide (CID 113037039) is N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide?
The canonical SMILES for N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(Nc2ccccc2C#N)cn1.
What is the InChIKey of N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide?
The InChIKey is XFYJDLBBNUIBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-3-8-17(22)21-16-10-9-14(12-19-16)20-15-7-5-4-6-13(15)11-18/h4-7,9-10,12,20H,2-3,8H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide?
N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide has a molecular weight of 294.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide is sourced from PubChem (CID 113037039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).