methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate

C13H14N4O3 — CID 166367632

IUPACmethyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1cc(N)ccn1
InChIInChI=1S/C13H14N4O3/c1-7-5-9(11(16-7)13(19)20-2)17-12(18)10-6-8(14)3-4-15-10/h3-6,16H,1-2H3,(H2,14,15)(H,17,18)
InChIKeyOUBFXKSRSXLZNA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.34
Rot. Bonds3

About methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate

methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate (PubChem CID 166367632) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
PubChem CID166367632
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Namemethyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1cc(N)ccn1
InChIInChI=1S/C13H14N4O3/c1-7-5-9(11(16-7)13(19)20-2)17-12(18)10-6-8(14)3-4-15-10/h3-6,16H,1-2H3,(H2,14,15)(H,17,18)
InChIKeyOUBFXKSRSXLZNA-UHFFFAOYSA-N
XLogP1.34
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-chloropyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167947103
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
CID 166201187
4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 167783555
methyl 4-aminopyridine-2-carboxylate
CID 3759117
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
4-amino-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 62156095
methyl 3-[[4-[(1S)-1-aminoethyl]benzoyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167931555
methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
CID 166213529
4-amino-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62155744
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
4-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-2-carboxamide
CID 102907947

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate (CID 166367632) is methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(N)ccn1.
What is the InChIKey of methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is OUBFXKSRSXLZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-5-9(11(16-7)13(19)20-2)17-12(18)10-6-8(14)3-4-15-10/h3-6,16H,1-2H3,(H2,14,15)(H,17,18).
What are the key properties of methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 166367632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).