5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide

C12H20N4O2 — CID 107197717

IUPAC5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
SMILESCN(CCCCCO)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-16(5-3-2-4-6-17)12-10(11(14)18)7-9(13)8-15-12/h7-8,17H,2-6,13H2,1H3,(H2,14,18)
InChIKeyFUSZXFOOQAMYKA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.36
Rot. Bonds7

About 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide

5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide (PubChem CID 107197717) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
PubChem CID107197717
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
SMILESCN(CCCCCO)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4O2/c1-16(5-3-2-4-6-17)12-10(11(14)18)7-9(13)8-15-12/h7-8,17H,2-6,13H2,1H3,(H2,14,18)
InChIKeyFUSZXFOOQAMYKA-UHFFFAOYSA-N
XLogP0.36
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197760
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
5-amino-2-(diethylamino)pyridine-3-carboxamide
CID 61359746
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
CID 55005406
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788
5-amino-2-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 61358208
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
CID 102859460
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide (CID 107197717) is 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide is CN(CCCCCO)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is FUSZXFOOQAMYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(5-3-2-4-6-17)12-10(11(14)18)7-9(13)8-15-12/h7-8,17H,2-6,13H2,1H3,(H2,14,18).
What are the key properties of 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide?
5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 107197717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).