methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate

C39H30N10O8 — CID 102451063

IUPACmethyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(NC(=O)c4cccc(NC(=O)c5cccc(NC(=O)OCc6ccccc6)n5)n4)n3)n2)n1
InChIInChI=1S/C39H30N10O8/c1-56-38(54)28-16-9-20-32(44-28)48-36(52)26-14-7-18-30(42-26)46-34(50)24-12-5-17-29(40-24)45-35(51)25-13-6-19-31(41-25)47-37(53)27-15-8-21-33(43-27)49-39(55)57-22-23-10-3-2-4-11-23/h2-21H,22H2,1H3,(H,40,45,51)(H,41,47,53)(H,42,46,50)(H,43,49,55)(H,44,48,52)
InChIKeyVKVUKLKQHKFQRY-UHFFFAOYSA-N
MW766.73 g/mol
LogP5.21
Rot. Bonds12

About methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate

methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 102451063) has the molecular formula C39H30N10O8 and a molecular weight of 766.73 g/mol. Its IUPAC name is methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
PubChem CID102451063
Molecular FormulaC39H30N10O8
Molecular Weight766.73 g/mol
Exact Mass766.22
IUPAC Namemethyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(NC(=O)c4cccc(NC(=O)c5cccc(NC(=O)OCc6ccccc6)n5)n4)n3)n2)n1
InChIInChI=1S/C39H30N10O8/c1-56-38(54)28-16-9-20-32(44-28)48-36(52)26-14-7-18-30(42-26)46-34(50)24-12-5-17-29(40-24)45-35(51)25-13-6-19-31(41-25)47-37(53)27-15-8-21-33(43-27)49-39(55)57-22-23-10-3-2-4-11-23/h2-21H,22H2,1H3,(H,40,45,51)(H,41,47,53)(H,42,46,50)(H,43,49,55)(H,44,48,52)
InChIKeyVKVUKLKQHKFQRY-UHFFFAOYSA-N
XLogP5.21
TPSA245.48 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.73
LogP ≤ 55.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate (CID 102451063) is methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(NC(=O)c4cccc(NC(=O)c5cccc(NC(=O)OCc6ccccc6)n5)n4)n3)n2)n1.
What is the InChIKey of methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is VKVUKLKQHKFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N10O8/c1-56-38(54)28-16-9-20-32(44-28)48-36(52)26-14-7-18-30(42-26)46-34(50)24-12-5-17-29(40-24)45-35(51)25-13-6-19-31(41-25)47-37(53)27-15-8-21-33(43-27)49-39(55)57-22-23-10-3-2-4-11-23/h2-21H,22H2,1H3,(H,40,45,51)(H,41,47,53)(H,42,46,50)(H,43,49,55)(H,44,48,52).
What are the key properties of methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate?
methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 766.73 g/mol, XLogP of 5.21, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 102451063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).