methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate

C13H14N4O2 — CID 114047485

IUPACmethyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1Nc1cncc(C)c1
InChIInChI=1S/C13H14N4O2/c1-8-3-10(7-15-5-8)17-12-11(13(18)19-2)4-9(14)6-16-12/h3-7H,14H2,1-2H3,(H,16,17)
InChIKeyARGRSGAWEHCHHP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.90
Rot. Bonds3

About methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate

methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate (PubChem CID 114047485) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
PubChem CID114047485
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1Nc1cncc(C)c1
InChIInChI=1S/C13H14N4O2/c1-8-3-10(7-15-5-8)17-12-11(13(18)19-2)4-9(14)6-16-12/h3-7H,14H2,1-2H3,(H,16,17)
InChIKeyARGRSGAWEHCHHP-UHFFFAOYSA-N
XLogP1.90
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 3-amino-4-[(5-methyl-3-pyridinyl)amino]benzoate
CID 107586479
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
CID 82482908
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
methyl 2-chloro-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
CID 58539034
methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate
CID 133086998
methyl 5-amino-2-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 114047133

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate (CID 114047485) is methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1Nc1cncc(C)c1.
What is the InChIKey of methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate?
The InChIKey is ARGRSGAWEHCHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-3-10(7-15-5-8)17-12-11(13(18)19-2)4-9(14)6-16-12/h3-7H,14H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate?
methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).