N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide

C19H25N3O — CID 109170237

IUPACN-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-3-4-8-12-20-18-14-17(11-13-21-18)19(23)22(2)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3,(H,20,21)
InChIKeyDYAFEBPZCFQSLS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.96
Rot. Bonds8

About N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide

N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide (PubChem CID 109170237) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
PubChem CID109170237
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C19H25N3O/c1-3-4-8-12-20-18-14-17(11-13-21-18)19(23)22(2)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3,(H,20,21)
InChIKeyDYAFEBPZCFQSLS-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
N-benzyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-4-carboxamide
CID 109170226
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236
N-butyl-2-[2-(2-fluorophenyl)ethylamino]-N-methylpyridine-4-carboxamide
CID 109172539
2-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 62175582
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide (CID 109170237) is N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide is CCCCCNc1cc(C(=O)N(C)Cc2ccccc2)ccn1.
What is the InChIKey of N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide?
The InChIKey is DYAFEBPZCFQSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-4-8-12-20-18-14-17(11-13-21-18)19(23)22(2)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide?
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109170237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).