methanol;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

C40H34N10O9 — CID 139042833

IUPACmethanol;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
SMILESCO.COC(=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.CH4O/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;1-2/h2-21H,22H2,1H3,(H,40,45,51)(H,41,47,53)(H,42,46,50)(H,43,49,55)(H,44,48,52);2H,1H3
InChIKeyNIZIJVRRZAVUHH-UHFFFAOYSA-N
MW798.77 g/mol
LogP4.81
Rot. Bonds12

About methanol;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

methanol;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 139042833) has the molecular formula C40H34N10O9 and a molecular weight of 798.77 g/mol. Its IUPAC name is methanol;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 Namemethanol;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 CID139042833
Molecular FormulaC40H34N10O9
Molecular Weight798.77 g/mol
Exact Mass798.25
IUPAC Namemethanol;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
SMILESCO.COC(=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.CH4O/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;1-2/h2-21H,22H2,1H3,(H,40,45,51)(H,41,47,53)(H,42,46,50)(H,43,49,55)(H,44,48,52);2H,1H3
InChIKeyNIZIJVRRZAVUHH-UHFFFAOYSA-N
XLogP4.81
TPSA265.71 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.77
LogP ≤ 54.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze methanol;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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Related Compounds

Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
Ethyl 6-({6-[6-(ethoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 5023417
Methyl 6-({6-[6-(methoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 3969909
CID 158847348
CID 158847348
Methyl 4-methoxy-6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;hydrate
CID 139037309
Methyl 6-[[6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;dihydrate
CID 139123612
22-H2O.cif
CID 139123616
Methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate
CID 139181922
Bis(dichloromethane);bis(methyl 6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate)
CID 139181925
benzyl N-[6-[[6-[[6-[[6-(pyridin-2-ylcarbamoyl)-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamate;dihydrate
CID 139181926
benzyl N-[6-[[6-[[6-[[6-[(6-amino-2-pyridinyl)carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamate;dihydrate
CID 139190817
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;dihydrate
CID 168336452

Frequently Asked Questions

What is the IUPAC name of methanol;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 methanol;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 139042833) is methanol;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 methanol;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 methanol;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 CO.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 methanol;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 NIZIJVRRZAVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N10O8.CH4O/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;1-2/h2-21H,22H2,1H3,(H,40,45,51)(H,41,47,53)(H,42,46,50)(H,43,49,55)(H,44,48,52);2H,1H3.
What are the key properties of methanol;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?
methanol;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 798.77 g/mol, XLogP of 4.81, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;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 139042833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).