N-(pyridin-4-ylmethyl)dodecanamide

C18H30N2O — CID 4285447

IUPACN-(pyridin-4-ylmethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1ccncc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-10-11-18(21)20-16-17-12-14-19-15-13-17/h12-15H,2-11,16H2,1H3,(H,20,21)
InChIKeyZAUQSQHGCWNHSP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.62
Rot. Bonds12

About N-(pyridin-4-ylmethyl)dodecanamide

N-(pyridin-4-ylmethyl)dodecanamide (PubChem CID 4285447) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)dodecanamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)dodecanamide
PubChem CID4285447
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(pyridin-4-ylmethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1ccncc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-10-11-18(21)20-16-17-12-14-19-15-13-17/h12-15H,2-11,16H2,1H3,(H,20,21)
InChIKeyZAUQSQHGCWNHSP-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
CID 143739581
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-benzylundecanamide
CID 5078198
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(4-bromophenyl)methyl]octanamide
CID 60582799

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)dodecanamide?
The IUPAC name of N-(pyridin-4-ylmethyl)dodecanamide (CID 4285447) is N-(pyridin-4-ylmethyl)dodecanamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)dodecanamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)dodecanamide is CCCCCCCCCCCC(=O)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)dodecanamide?
The InChIKey is ZAUQSQHGCWNHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-10-11-18(21)20-16-17-12-14-19-15-13-17/h12-15H,2-11,16H2,1H3,(H,20,21).
What are the key properties of N-(pyridin-4-ylmethyl)dodecanamide?
N-(pyridin-4-ylmethyl)dodecanamide has a molecular weight of 290.45 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)dodecanamide is sourced from PubChem (CID 4285447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).