2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate

C49H53N15O16 — CID 139183992

IUPAC2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(O)cc(C(=O)Nc3cccc(NC(=O)c4cc(O)cc(C(=O)Nc5cccc(NC(=O)c6cc(O)cc(C(=O)Nc7cccc(NC(C)=O)n7)n6)n5)n4)n3)n2)n1.CO.CO.CO.CO.O
InChIInChI=1S/C45H35N15O11.4CH4O.H2O/c1-21(61)46-32-7-3-9-34(51-32)55-40(66)26-15-23(63)17-28(48-26)42(68)57-36-11-5-13-38(53-36)59-44(70)30-19-25(65)20-31(50-30)45(71)60-39-14-6-12-37(54-39)58-43(69)29-18-24(64)16-27(49-29)41(67)56-35-10-4-8-33(52-35)47-22(2)62;4*1-2;/h3-20H,1-2H3,(H,48,63)(H,49,64)(H,50,65)(H2,46,51,55,61,66)(H2,47,52,56,62,67)(H2,53,57,59,68,70)(H2,54,58,60,69,71);4*2H,1H3;1H2
InChIKeyVMPUQZAPIFDXBR-UHFFFAOYSA-N
MW1108.05 g/mol
LogP1.61
Rot. Bonds14

About 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate

2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate (PubChem CID 139183992) has the molecular formula C49H53N15O16 and a molecular weight of 1108.05 g/mol. Its IUPAC name is 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate.

Molecular Properties

Compound Name2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate
PubChem CID139183992
Molecular FormulaC49H53N15O16
Molecular Weight1108.05 g/mol
Exact Mass1107.38
IUPAC Name2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(O)cc(C(=O)Nc3cccc(NC(=O)c4cc(O)cc(C(=O)Nc5cccc(NC(=O)c6cc(O)cc(C(=O)Nc7cccc(NC(C)=O)n7)n6)n5)n4)n3)n2)n1.CO.CO.CO.CO.O
InChIInChI=1S/C45H35N15O11.4CH4O.H2O/c1-21(61)46-32-7-3-9-34(51-32)55-40(66)26-15-23(63)17-28(48-26)42(68)57-36-11-5-13-38(53-36)59-44(70)30-19-25(65)20-31(50-30)45(71)60-39-14-6-12-37(54-39)58-43(69)29-18-24(64)16-27(49-29)41(67)56-35-10-4-8-33(52-35)47-22(2)62;4*1-2;/h3-20H,1-2H3,(H,48,63)(H,49,64)(H,50,65)(H2,46,51,55,61,66)(H2,47,52,56,62,67)(H2,53,57,59,68,70)(H2,54,58,60,69,71);4*2H,1H3;1H2
InChIKeyVMPUQZAPIFDXBR-UHFFFAOYSA-N
XLogP1.61
TPSA496.14 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001108.05
LogP ≤ 51.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Analyze 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate with MolForge

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Related Compounds

2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
2-N-[6-(undecanoylamino)-2-pyridinyl]-6-N-[6-[[6-[[6-(undecanoylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]pyridine-2,6-dicarboxamide
CID 101146659
N-(6-methylsulfanyl-2-pyridinyl)acetamide
CID 130710771
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
(6-acetamido-2-pyridinyl) acetate
CID 14208887
N-(3,5-difluorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239278
N-(3,4-dichlorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239927
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
CID 136863629
N-(4-hydroxyphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 84570861

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate?
The IUPAC name of 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate (CID 139183992) is 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate.
What is the SMILES notation for 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate?
The canonical SMILES for 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate is CC(=O)Nc1cccc(NC(=O)c2cc(O)cc(C(=O)Nc3cccc(NC(=O)c4cc(O)cc(C(=O)Nc5cccc(NC(=O)c6cc(O)cc(C(=O)Nc7cccc(NC(C)=O)n7)n6)n5)n4)n3)n2)n1.CO.CO.CO.CO.O.
What is the InChIKey of 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate?
The InChIKey is VMPUQZAPIFDXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N15O11.4CH4O.H2O/c1-21(61)46-32-7-3-9-34(51-32)55-40(66)26-15-23(63)17-28(48-26)42(68)57-36-11-5-13-38(53-36)59-44(70)30-19-25(65)20-31(50-30)45(71)60-39-14-6-12-37(54-39)58-43(69)29-18-24(64)16-27(49-29)41(67)56-35-10-4-8-33(52-35)47-22(2)62;4*1-2;/h3-20H,1-2H3,(H,48,63)(H,49,64)(H,50,65)(H2,46,51,55,61,66)(H2,47,52,56,62,67)(H2,53,57,59,68,70)(H2,54,58,60,69,71);4*2H,1H3;1H2.
What are the key properties of 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate?
2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate has a molecular weight of 1108.05 g/mol, XLogP of 1.61, 14 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-acetamido-2-pyridinyl)-6-N-[6-[[6-[[6-[[6-[(6-acetamido-2-pyridinyl)carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]-4-hydroxypyridine-2-carbonyl]amino]-2-pyridinyl]-4-hydroxypyridine-2,6-dicarboxamide;methanol;hydrate is sourced from PubChem (CID 139183992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).