6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide

C18H23N3O — CID 109151611

IUPAC6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccccc2CC)cn1
InChIInChI=1S/C18H23N3O/c1-3-5-12-19-17-11-10-15(13-20-17)18(22)21-16-9-7-6-8-14(16)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDOPNPZNBRZECCV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.11
Rot. Bonds7

About 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide

6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide (PubChem CID 109151611) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
PubChem CID109151611
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccccc2CC)cn1
InChIInChI=1S/C18H23N3O/c1-3-5-12-19-17-11-10-15(13-20-17)18(22)21-16-9-7-6-8-14(16)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDOPNPZNBRZECCV-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62167285
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
6-(ethylamino)-N-[2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62177976
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
N-(2,3-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181665
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide (CID 109151611) is 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccccc2CC)cn1.
What is the InChIKey of 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is DOPNPZNBRZECCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-5-12-19-17-11-10-15(13-20-17)18(22)21-16-9-7-6-8-14(16)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide?
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).