5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide

C17H20ClN3O2 — CID 109180935

IUPAC5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)nc1
InChIInChI=1S/C17H20ClN3O2/c1-3-4-9-19-13-5-7-15(20-11-13)17(22)21-12-6-8-16(23-2)14(18)10-12/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,21,22)
InChIKeySHQCTPUFHOQUCN-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.21
Rot. Bonds7

About 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide

5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109180935) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109180935
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)nc1
InChIInChI=1S/C17H20ClN3O2/c1-3-4-9-19-13-5-7-15(20-11-13)17(22)21-12-6-8-16(23-2)14(18)10-12/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,21,22)
InChIKeySHQCTPUFHOQUCN-UHFFFAOYSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.21
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-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199580
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
methyl 3-[[5-(butylamino)pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109180960

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide (CID 109180935) is 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)nc1.
What is the InChIKey of 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is SHQCTPUFHOQUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-4-9-19-13-5-7-15(20-11-13)17(22)21-12-6-8-16(23-2)14(18)10-12/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide?
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109180935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).