6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide

C18H20N4O — CID 109161463

IUPAC6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C18H20N4O/c1-2-3-6-11-20-18(23)15-9-10-17(21-13-15)22-16-8-5-4-7-14(16)12-19/h4-5,7-10,13H,2-3,6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyNLEBHZNNIBUCBG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.62
Rot. Bonds7

About 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide

6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide (PubChem CID 109161463) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
PubChem CID109161463
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C18H20N4O/c1-2-3-6-11-20-18(23)15-9-10-17(21-13-15)22-16-8-5-4-7-14(16)12-19/h4-5,7-10,13H,2-3,6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyNLEBHZNNIBUCBG-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

6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
CID 109161449
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157211
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159767
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109164948
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide (CID 109161463) is 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1ccc(Nc2ccccc2C#N)nc1.
What is the InChIKey of 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide?
The InChIKey is NLEBHZNNIBUCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-3-6-11-20-18(23)15-9-10-17(21-13-15)22-16-8-5-4-7-14(16)12-19/h4-5,7-10,13H,2-3,6,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide?
6-(2-cyanoanilino)-N-pentylpyridine-3-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 6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109161463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).