4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid

C14H13N3O5 — CID 167783555

IUPAC4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H13N3O5/c1-7-5-9(11(16-7)14(21)22-2)17-12(18)8-3-4-15-10(6-8)13(19)20/h3-6,16H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJLUGHMBQOLOYTN-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.46
Rot. Bonds4

About 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid

4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 167783555) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID167783555
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H13N3O5/c1-7-5-9(11(16-7)14(21)22-2)17-12(18)8-3-4-15-10(6-8)13(19)20/h3-6,16H,1-2H3,(H,17,18)(H,19,20)
InChIKeyJLUGHMBQOLOYTN-UHFFFAOYSA-N
XLogP1.46
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.46
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
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 166367632
methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
CID 166213529
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
methyl 3-[[4-[(1S)-1-aminoethyl]benzoyl]amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 167931555
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
CID 113483053
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107605941
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 105063309

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid (CID 167783555) is 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid is COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JLUGHMBQOLOYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-7-5-9(11(16-7)14(21)22-2)17-12(18)8-3-4-15-10(6-8)13(19)20/h3-6,16H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167783555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).