N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide

C31H55N3O2 — CID 11038419

IUPACN-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCCCCC)n1
InChIInChI=1S/C31H55N3O2/c1-3-5-7-9-11-13-15-17-19-21-26-30(35)33-28-24-23-25-29(32-28)34-31(36)27-22-20-18-16-14-12-10-8-6-4-2/h23-25H,3-22,26-27H2,1-2H3,(H2,32,33,34,35,36)
InChIKeyXJWDLYZQEFKPAX-UHFFFAOYSA-N
MW501.80 g/mol
LogP9.58
Rot. Bonds24

About N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide

N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide (PubChem CID 11038419) has the molecular formula C31H55N3O2 and a molecular weight of 501.80 g/mol. Its IUPAC name is N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide.

Molecular Properties

Compound NameN-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
PubChem CID11038419
Molecular FormulaC31H55N3O2
Molecular Weight501.80 g/mol
Exact Mass501.43
IUPAC NameN-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCCCCC)n1
InChIInChI=1S/C31H55N3O2/c1-3-5-7-9-11-13-15-17-19-21-26-30(35)33-28-24-23-25-29(32-28)34-31(36)27-22-20-18-16-14-12-10-8-6-4-2/h23-25H,3-22,26-27H2,1-2H3,(H2,32,33,34,35,36)
InChIKeyXJWDLYZQEFKPAX-UHFFFAOYSA-N
XLogP9.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.80
LogP ≤ 59.58
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-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
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-(tridecanoylamino)-2-pyridinyl]tridecanamide?
The IUPAC name of N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide (CID 11038419) is N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide.
What is the SMILES notation for N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide?
The canonical SMILES for N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide is CCCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCCCCC)n1.
What is the InChIKey of N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide?
The InChIKey is XJWDLYZQEFKPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55N3O2/c1-3-5-7-9-11-13-15-17-19-21-26-30(35)33-28-24-23-25-29(32-28)34-31(36)27-22-20-18-16-14-12-10-8-6-4-2/h23-25H,3-22,26-27H2,1-2H3,(H2,32,33,34,35,36).
What are the key properties of N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide?
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide has a molecular weight of 501.80 g/mol, XLogP of 9.58, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide is sourced from PubChem (CID 11038419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).