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

C12H20N4O — CID 61358598

IUPAC5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
SMILESCCCCCN(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4O/c1-3-4-5-6-16(2)12-10(11(14)17)7-9(13)8-15-12/h7-8H,3-6,13H2,1-2H3,(H2,14,17)
InChIKeyQORRPMJIIAZARI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.39
Rot. Bonds6

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

5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide (PubChem CID 61358598) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
PubChem CID61358598
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
SMILESCCCCCN(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H20N4O/c1-3-4-5-6-16(2)12-10(11(14)17)7-9(13)8-15-12/h7-8H,3-6,13H2,1-2H3,(H2,14,17)
InChIKeyQORRPMJIIAZARI-UHFFFAOYSA-N
XLogP1.39
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.39
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-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
5-amino-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxamide
CID 107197717
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
5-amino-2-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 61358208
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
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788
5-amino-2-[(2-amino-2-oxoethyl)-ethylamino]pyridine-3-carboxamide
CID 103101079
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892
5-amino-2-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboxamide
CID 112656986

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide (CID 61358598) is 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide is CCCCCN(C)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide?
The InChIKey is QORRPMJIIAZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-5-6-16(2)12-10(11(14)17)7-9(13)8-15-12/h7-8H,3-6,13H2,1-2H3,(H2,14,17).
What are the key properties of 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide?
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 61358598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).