2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

C13H21N3O2 — CID 114137448

IUPAC2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cccnc1N
InChIInChI=1S/C13H21N3O2/c1-10(2)18-9-4-3-7-16-13(17)11-6-5-8-15-12(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyOSJOVUTXOGVLAY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide

2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide (PubChem CID 114137448) 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-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
PubChem CID114137448
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cccnc1N
InChIInChI=1S/C13H21N3O2/c1-10(2)18-9-4-3-7-16-13(17)11-6-5-8-15-12(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyOSJOVUTXOGVLAY-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-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide (CID 114137448) is 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide is CC(C)OCCCCNC(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
The InChIKey is OSJOVUTXOGVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)18-9-4-3-7-16-13(17)11-6-5-8-15-12(11)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide?
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 114137448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).