methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate

C15H15N3O3 — CID 170511051

IUPACmethyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Nc2cc(C(N)=O)ccc2C)n1
InChIInChI=1S/C15H15N3O3/c1-9-6-7-10(14(16)19)8-12(9)18-13-5-3-4-11(17-13)15(20)21-2/h3-8H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyUXPDUSOUCZWQSK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.02
Rot. Bonds4

About methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate

methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate (PubChem CID 170511051) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate
PubChem CID170511051
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Nc2cc(C(N)=O)ccc2C)n1
InChIInChI=1S/C15H15N3O3/c1-9-6-7-10(14(16)19)8-12(9)18-13-5-3-4-11(17-13)15(20)21-2/h3-8H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyUXPDUSOUCZWQSK-UHFFFAOYSA-N
XLogP2.02
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate
CID 67772794
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
4-methyl-3-[[5-methyl-4-(2-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 90337576
methyl 3-(4-aminoanilino)-4-methylbenzoate
CID 4764130
methyl 6-(5-carbamoyl-2-fluoroanilino)pyridine-3-carboxylate
CID 171913696
methyl 6-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]pyridine-2-carboxylate
CID 118705751
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
3-[[4-[5-(methanesulfonamido)-2-methylanilino]pyrimidin-2-yl]amino]benzamide
CID 25138027
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate (CID 170511051) is methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate is COC(=O)c1cccc(Nc2cc(C(N)=O)ccc2C)n1.
What is the InChIKey of methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate?
The InChIKey is UXPDUSOUCZWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-6-7-10(14(16)19)8-12(9)18-13-5-3-4-11(17-13)15(20)21-2/h3-8H,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate?
methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate is sourced from PubChem (CID 170511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).