methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate

C21H17N5O6 — CID 3969909

IUPACmethyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC)n3)n2)n1
InChIInChI=1S/C21H17N5O6/c1-31-20(29)14-8-3-6-12(22-14)18(27)25-16-10-5-11-17(24-16)26-19(28)13-7-4-9-15(23-13)21(30)32-2/h3-11H,1-2H3,(H2,24,25,26,27,28)
InChIKeyDCVZRAPVEYIVIQ-UHFFFAOYSA-N
MW435.40 g/mol
LogP1.95
Rot. Bonds6

About methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate

methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 3969909) has the molecular formula C21H17N5O6 and a molecular weight of 435.40 g/mol. Its IUPAC name is methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
PubChem CID3969909
Molecular FormulaC21H17N5O6
Molecular Weight435.40 g/mol
Exact Mass435.12
IUPAC Namemethyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC)n3)n2)n1
InChIInChI=1S/C21H17N5O6/c1-31-20(29)14-8-3-6-12(22-14)18(27)25-16-10-5-11-17(24-16)26-19(28)13-7-4-9-15(23-13)21(30)32-2/h3-11H,1-2H3,(H2,24,25,26,27,28)
InChIKeyDCVZRAPVEYIVIQ-UHFFFAOYSA-N
XLogP1.95
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (CID 3969909) is methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC)n3)n2)n1.
What is the InChIKey of methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is DCVZRAPVEYIVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O6/c1-31-20(29)14-8-3-6-12(22-14)18(27)25-16-10-5-11-17(24-16)26-19(28)13-7-4-9-15(23-13)21(30)32-2/h3-11H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 435.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-[(6-methoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3969909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).