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

C13H21N3O2 — CID 106015103

IUPAC2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccnc(N)c1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-8-4-3-6-16-13(17)11-5-7-15-12(14)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeySIHOCIXDJMDATH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds7

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

2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (PubChem CID 106015103) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
PubChem CID106015103
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccnc(N)c1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-8-4-3-6-16-13(17)11-5-7-15-12(14)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeySIHOCIXDJMDATH-UHFFFAOYSA-N
XLogP1.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
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-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115522139
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106011165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (CID 106015103) is 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is CC(C)OCCCCNC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The InChIKey is SIHOCIXDJMDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)18-8-4-3-6-16-13(17)11-5-7-15-12(14)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106015103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).