methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate

C15H13N3O5 — CID 166208657

IUPACmethyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)OC)nc2)cn1
InChIInChI=1S/C15H13N3O5/c1-22-14(20)11-5-3-9(7-16-11)13(19)18-10-4-6-12(17-8-10)15(21)23-2/h3-8H,1-2H3,(H,18,19)
InChIKeyFVWUBKNHKQYSBN-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.30
Rot. Bonds4

About methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate

methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 166208657) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
PubChem CID166208657
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Namemethyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)OC)nc2)cn1
InChIInChI=1S/C15H13N3O5/c1-22-14(20)11-5-3-9(7-16-11)13(19)18-10-4-6-12(17-8-10)15(21)23-2/h3-8H,1-2H3,(H,18,19)
InChIKeyFVWUBKNHKQYSBN-UHFFFAOYSA-N
XLogP1.30
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
5-N-(4-bromophenyl)pyridine-2,5-dicarboxamide
CID 47460208
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate (CID 166208657) is methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)c2ccc(C(=O)OC)nc2)cn1.
What is the InChIKey of methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is FVWUBKNHKQYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-22-14(20)11-5-3-9(7-16-11)13(19)18-10-4-6-12(17-8-10)15(21)23-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate?
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 315.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 166208657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).