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

C51H63N11O6 — CID 101146659

IUPAC2-N-[6-(undecanoylamino)-2-pyridinyl]-6-N-[6-[[6-[[6-(undecanoylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]pyridine-2,6-dicarboxamide
SMILESCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)c4cccc(C(=O)Nc5cccc(NC(=O)CCCCCCCCCC)n5)n4)n3)n2)n1
InChIInChI=1S/C51H63N11O6/c1-3-5-7-9-11-13-15-17-34-46(63)57-40-28-21-30-42(54-40)59-48(65)36-24-19-26-38(52-36)50(67)61-44-32-23-33-45(56-44)62-51(68)39-27-20-25-37(53-39)49(66)60-43-31-22-29-41(55-43)58-47(64)35-18-16-14-12-10-8-6-4-2/h19-33H,3-18,34-35H2,1-2H3,(H2,54,57,59,63,65)(H2,55,58,60,64,66)(H2,56,61,62,67,68)
InChIKeyTVWHKYRAPFBFMH-UHFFFAOYSA-N
MW926.14 g/mol
LogP10.61
Rot. Bonds28

About 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

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 (PubChem CID 101146659) has the molecular formula C51H63N11O6 and a molecular weight of 926.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N-[6-(undecanoylamino)-2-pyridinyl]-6-N-[6-[[6-[[6-(undecanoylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]pyridine-2,6-dicarboxamide
PubChem CID101146659
Molecular FormulaC51H63N11O6
Molecular Weight926.14 g/mol
Exact Mass925.50
IUPAC Name2-N-[6-(undecanoylamino)-2-pyridinyl]-6-N-[6-[[6-[[6-(undecanoylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]pyridine-2,6-dicarboxamide
SMILESCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)c4cccc(C(=O)Nc5cccc(NC(=O)CCCCCCCCCC)n5)n4)n3)n2)n1
InChIInChI=1S/C51H63N11O6/c1-3-5-7-9-11-13-15-17-34-46(63)57-40-28-21-30-42(54-40)59-48(65)36-24-19-26-38(52-36)50(67)61-44-32-23-33-45(56-44)62-51(68)39-27-20-25-37(53-39)49(66)60-43-31-22-29-41(55-43)58-47(64)35-18-16-14-12-10-8-6-4-2/h19-33H,3-18,34-35H2,1-2H3,(H2,54,57,59,63,65)(H2,55,58,60,64,66)(H2,56,61,62,67,68)
InChIKeyTVWHKYRAPFBFMH-UHFFFAOYSA-N
XLogP10.61
TPSA239.05 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500926.14
LogP ≤ 510.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide
CID 71358043
N-[6-(hydroxymethyl)-2-pyridinyl]pentanamide
CID 82343736
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-naphthalen-1-yldodecanamide
CID 588517
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide
CID 10984801
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)c4cccc(C(=O)Nc5cccc(NC(=O)CCCCCCCCCC)n5)n4)n3)n2)n1.
What is the InChIKey of 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?
The InChIKey is TVWHKYRAPFBFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H63N11O6/c1-3-5-7-9-11-13-15-17-34-46(63)57-40-28-21-30-42(54-40)59-48(65)36-24-19-26-38(52-36)50(67)61-44-32-23-33-45(56-44)62-51(68)39-27-20-25-37(53-39)49(66)60-43-31-22-29-41(55-43)58-47(64)35-18-16-14-12-10-8-6-4-2/h19-33H,3-18,34-35H2,1-2H3,(H2,54,57,59,63,65)(H2,55,58,60,64,66)(H2,56,61,62,67,68).
What are the key properties of 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?
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 has a molecular weight of 926.14 g/mol, XLogP of 10.61, 28 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101146659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).