methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate

C13H13N3O3 — CID 166201187

IUPACmethyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccccn1
InChIInChI=1S/C13H13N3O3/c1-8-7-10(11(15-8)13(18)19-2)16-12(17)9-5-3-4-6-14-9/h3-7,15H,1-2H3,(H,16,17)
InChIKeyQEIHSEGXJLTIHF-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.76
Rot. Bonds3

About methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate

methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate (PubChem CID 166201187) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
PubChem CID166201187
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccccn1
InChIInChI=1S/C13H13N3O3/c1-8-7-10(11(15-8)13(18)19-2)16-12(17)9-5-3-4-6-14-9/h3-7,15H,1-2H3,(H,16,17)
InChIKeyQEIHSEGXJLTIHF-UHFFFAOYSA-N
XLogP1.76
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-chloropyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167947103
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 166367632
4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 167783555
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
CID 110481979
methyl 3-[[4-[(1S)-1-aminoethyl]benzoyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167931555
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
methyl 3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 95979627
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
methyl 5-methyl-3-[[methyl(propan-2-yl)carbamoyl]amino]-1H-pyrrole-2-carboxylate
CID 75431714
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate (CID 166201187) is methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)c1ccccn1.
What is the InChIKey of methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate?
The InChIKey is QEIHSEGXJLTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-7-10(11(15-8)13(18)19-2)16-12(17)9-5-3-4-6-14-9/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate?
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 166201187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).