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

C13H21N3O2 — CID 106006135

IUPAC5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-8-4-3-7-15-13(17)12-6-5-11(14)9-16-12/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,17)
InChIKeyMHOLOLTUKXZIKJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds7

About 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide

5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide (PubChem CID 106006135) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
PubChem CID106006135
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-8-4-3-7-15-13(17)12-6-5-11(14)9-16-12/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,17)
InChIKeyMHOLOLTUKXZIKJ-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

5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 81315932
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide (CID 106006135) is 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide is CC(C)OCCCCNC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide?
The InChIKey is MHOLOLTUKXZIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)18-8-4-3-7-15-13(17)12-6-5-11(14)9-16-12/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide?
5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-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 5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 106006135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).