N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide

C18H23N3O — CID 109195830

IUPACN-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C)cc2)nc1
InChIInChI=1S/C18H23N3O/c1-3-4-5-12-19-16-10-11-17(20-13-16)18(22)21-15-8-6-14(2)7-9-15/h6-11,13,19H,3-5,12H2,1-2H3,(H,21,22)
InChIKeyWJWKYMHALJYRBL-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.24
Rot. Bonds7

About N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide

N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195830) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195830
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C)cc2)nc1
InChIInChI=1S/C18H23N3O/c1-3-4-5-12-19-16-10-11-17(20-13-16)18(22)21-15-8-6-14(2)7-9-15/h6-11,13,19H,3-5,12H2,1-2H3,(H,21,22)
InChIKeyWJWKYMHALJYRBL-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
5-(pentylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109195823

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide (CID 109195830) is N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(C)cc2)nc1.
What is the InChIKey of N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is WJWKYMHALJYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-5-12-19-16-10-11-17(20-13-16)18(22)21-15-8-6-14(2)7-9-15/h6-11,13,19H,3-5,12H2,1-2H3,(H,21,22).
What are the key properties of N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).