N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide

C19H24ClN3O — CID 109240170

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-4-5-6-7-22-16-10-15(11-21-12-16)19(24)23-18-14(3)8-13(2)9-17(18)20/h8-12,22H,4-7H2,1-3H3,(H,23,24)
InChIKeyKGACWDTVDQMPFG-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.21
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide (PubChem CID 109240170) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
PubChem CID109240170
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H24ClN3O/c1-4-5-6-7-22-16-10-15(11-21-12-16)19(24)23-18-14(3)8-13(2)9-17(18)20/h8-12,22H,4-7H2,1-3H3,(H,23,24)
InChIKeyKGACWDTVDQMPFG-UHFFFAOYSA-N
XLogP5.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.21
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

5-(propylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109223068
N-(2-chloro-4,6-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232696
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109239926
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223059
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
3-N-propyl-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109101238
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide (CID 109240170) is N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The InChIKey is KGACWDTVDQMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-4-5-6-7-22-16-10-15(11-21-12-16)19(24)23-18-14(3)8-13(2)9-17(18)20/h8-12,22H,4-7H2,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109240170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).