methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate

C13H20N4O3 — CID 114406226

IUPACmethyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
SMILESCCCNC(=O)CCNc1nc(C(=O)OC)ccc1N
InChIInChI=1S/C13H20N4O3/c1-3-7-15-11(18)6-8-16-12-9(14)4-5-10(17-12)13(19)20-2/h4-5H,3,6-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMDUCMVSPOQKOPU-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.78
Rot. Bonds7

About methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate

methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate (PubChem CID 114406226) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
PubChem CID114406226
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
SMILESCCCNC(=O)CCNc1nc(C(=O)OC)ccc1N
InChIInChI=1S/C13H20N4O3/c1-3-7-15-11(18)6-8-16-12-9(14)4-5-10(17-12)13(19)20-2/h4-5H,3,6-8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyMDUCMVSPOQKOPU-UHFFFAOYSA-N
XLogP0.78
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
methyl 5-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylate
CID 114407186
methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
CID 114406367
3-(4-amino-3-methoxyanilino)-N-propylpropanamide
CID 63676677
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
CID 114169838
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 66281292
methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
CID 114408077
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
CID 114999049
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate (CID 114406226) is methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate is CCCNC(=O)CCNc1nc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate?
The InChIKey is MDUCMVSPOQKOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-7-15-11(18)6-8-16-12-9(14)4-5-10(17-12)13(19)20-2/h4-5H,3,6-8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate?
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 114406226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).