6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide

C18H22ClN3O2 — CID 109151665

IUPAC6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C18H22ClN3O2/c1-4-5-8-20-17-7-6-13(11-21-17)18(23)22-15-9-12(2)14(19)10-16(15)24-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyABZHTXKKNYRKJU-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.52
Rot. Bonds7

About 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide

6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 109151665) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
PubChem CID109151665
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1
InChIInChI=1S/C18H22ClN3O2/c1-4-5-8-20-17-7-6-13(11-21-17)18(23)22-15-9-12(2)14(19)10-16(15)24-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyABZHTXKKNYRKJU-UHFFFAOYSA-N
XLogP4.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.52
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

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152976
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109264082
2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320598
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide (CID 109151665) is 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1.
What is the InChIKey of 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ABZHTXKKNYRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-4-5-8-20-17-7-6-13(11-21-17)18(23)22-15-9-12(2)14(19)10-16(15)24-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).