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

C19H25N3O — CID 109240144

IUPACN-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H25N3O/c1-4-5-6-9-21-17-11-16(12-20-13-17)19(23)22-18-10-14(2)7-8-15(18)3/h7-8,10-13,21H,4-6,9H2,1-3H3,(H,22,23)
InChIKeyLMGFMEYBFADQRV-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.55
Rot. Bonds7

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

N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide (PubChem CID 109240144) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
PubChem CID109240144
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H25N3O/c1-4-5-6-9-21-17-11-16(12-20-13-17)19(23)22-18-10-14(2)7-8-15(18)3/h7-8,10-13,21H,4-6,9H2,1-3H3,(H,22,23)
InChIKeyLMGFMEYBFADQRV-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.55
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-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107229
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236524
N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240170
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239101
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide (CID 109240144) is N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
The InChIKey is LMGFMEYBFADQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-6-9-21-17-11-16(12-20-13-17)19(23)22-18-10-14(2)7-8-15(18)3/h7-8,10-13,21H,4-6,9H2,1-3H3,(H,22,23).
What are the key properties of N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide?
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109240144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).