5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide

C12H20N4O — CID 114405541

IUPAC5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide
SMILESCCCC(C)N(C)c1nc(C(N)=O)ccc1N
InChIInChI=1S/C12H20N4O/c1-4-5-8(2)16(3)12-9(13)6-7-10(15-12)11(14)17/h6-8H,4-5,13H2,1-3H3,(H2,14,17)
InChIKeyFWMSOZRCOLQYJV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.39
Rot. Bonds5

About 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide

5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide (PubChem CID 114405541) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide
PubChem CID114405541
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide
SMILESCCCC(C)N(C)c1nc(C(N)=O)ccc1N
InChIInChI=1S/C12H20N4O/c1-4-5-8(2)16(3)12-9(13)6-7-10(15-12)11(14)17/h6-8H,4-5,13H2,1-3H3,(H2,14,17)
InChIKeyFWMSOZRCOLQYJV-UHFFFAOYSA-N
XLogP1.39
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

5-amino-6-[cyclopropyl(methyl)amino]pyridine-2-carboxamide
CID 114405386
5-amino-6-[cyclopentyl(methyl)amino]pyridine-2-carboxamide
CID 114405392
5-amino-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-2-carboxamide
CID 114406497
5-amino-6-(2-methylpentoxy)pyridine-2-carboxamide
CID 103284510
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
5-amino-6-[cyclopentyl(2-methylpropyl)amino]pyridine-2-carboxamide
CID 114407077
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528
5-amino-6-(hexan-2-ylamino)pyridine-2-carboxamide
CID 114406333
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299
5-amino-6-(butan-2-ylamino)pyridine-2-carboxamide
CID 114404937
5-amino-6-(4-cyano-N-methylanilino)pyridine-2-carboxamide
CID 114406485

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide (CID 114405541) is 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide is CCCC(C)N(C)c1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide?
The InChIKey is FWMSOZRCOLQYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-5-8(2)16(3)12-9(13)6-7-10(15-12)11(14)17/h6-8H,4-5,13H2,1-3H3,(H2,14,17).
What are the key properties of 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide?
5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(pentan-2-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 114405541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).