N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide

C16H27N3O2 — CID 106015134

IUPACN-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCCOC(C)C)ccn1
InChIInChI=1S/C16H27N3O2/c1-4-8-17-15-12-14(7-10-18-15)16(20)19-9-5-6-11-21-13(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyOEHCAJYUDPUSSN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.84
Rot. Bonds10

About N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide

N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 106015134) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID106015134
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCCOC(C)C)ccn1
InChIInChI=1S/C16H27N3O2/c1-4-8-17-15-12-14(7-10-18-15)16(20)19-9-5-6-11-21-13(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyOEHCAJYUDPUSSN-UHFFFAOYSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.84
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

2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide (CID 106015134) is N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCCCOC(C)C)ccn1.
What is the InChIKey of N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is OEHCAJYUDPUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-8-17-15-12-14(7-10-18-15)16(20)19-9-5-6-11-21-13(2)3/h7,10,12-13H,4-6,8-9,11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide?
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106015134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).