N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide

C28H49N3O2 — CID 101442784

IUPACN-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCCC)n1
InChIInChI=1S/C28H49N3O2/c1-3-5-7-9-11-13-15-17-19-24-28(33)31-26-22-20-21-25(29-26)30-27(32)23-18-16-14-12-10-8-6-4-2/h20-22H,3-19,23-24H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyVVYXVKQUAQNXGU-UHFFFAOYSA-N
MW459.72 g/mol
LogP8.41
Rot. Bonds21

About N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide

N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide (PubChem CID 101442784) has the molecular formula C28H49N3O2 and a molecular weight of 459.72 g/mol. Its IUPAC name is N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide.

Molecular Properties

Compound NameN-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
PubChem CID101442784
Molecular FormulaC28H49N3O2
Molecular Weight459.72 g/mol
Exact Mass459.38
IUPAC NameN-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCCC)n1
InChIInChI=1S/C28H49N3O2/c1-3-5-7-9-11-13-15-17-19-24-28(33)31-26-22-20-21-25(29-26)30-27(32)23-18-16-14-12-10-8-6-4-2/h20-22H,3-19,23-24H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyVVYXVKQUAQNXGU-UHFFFAOYSA-N
XLogP8.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
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-fluoro-2-pyridinyl)octanamide
CID 104820556
N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
N-(6-acetamido-2-pyridinyl)-11-sulfanylundecanamide
CID 71358043
N-[6-(hydroxymethyl)-2-pyridinyl]pentanamide
CID 82343736
N-naphthalen-1-yldodecanamide
CID 588517
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
(Z)-N-[6-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-pyridinyl]octadec-9-enamide
CID 101362774
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275

Frequently Asked Questions

What is the IUPAC name of N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide?
The IUPAC name of N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide (CID 101442784) is N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide.
What is the SMILES notation for N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide?
The canonical SMILES for N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide is CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCCC)n1.
What is the InChIKey of N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide?
The InChIKey is VVYXVKQUAQNXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49N3O2/c1-3-5-7-9-11-13-15-17-19-24-28(33)31-26-22-20-21-25(29-26)30-27(32)23-18-16-14-12-10-8-6-4-2/h20-22H,3-19,23-24H2,1-2H3,(H2,29,30,31,32,33).
What are the key properties of N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide?
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide has a molecular weight of 459.72 g/mol, XLogP of 8.41, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide is sourced from PubChem (CID 101442784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).