2-methyl-N-pyridin-4-yldodecanamide

C18H30N2O — CID 175060967

IUPAC2-methyl-N-pyridin-4-yldodecanamide
SMILESCCCCCCCCCCC(C)C(=O)Nc1ccncc1
InChIInChI=1S/C18H30N2O/c1-3-4-5-6-7-8-9-10-11-16(2)18(21)20-17-12-14-19-15-13-17/h12-16H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyPGVWDZUSBWANHU-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.19
Rot. Bonds11

About 2-methyl-N-pyridin-4-yldodecanamide

2-methyl-N-pyridin-4-yldodecanamide (PubChem CID 175060967) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-N-pyridin-4-yldodecanamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-4-yldodecanamide
PubChem CID175060967
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-methyl-N-pyridin-4-yldodecanamide
SMILESCCCCCCCCCCC(C)C(=O)Nc1ccncc1
InChIInChI=1S/C18H30N2O/c1-3-4-5-6-7-8-9-10-11-16(2)18(21)20-17-12-14-19-15-13-17/h12-16H,3-11H2,1-2H3,(H,19,20,21)
InChIKeyPGVWDZUSBWANHU-UHFFFAOYSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-pyridin-4-yldodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-pyridazin-4-ylhexanamide
CID 154864675
dipotassium;dimethyl 2-[[4-(2-methylundecanoylamino)phenyl]methylidene]propanedioate
CID 160756345
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
2-methyl-N-[2-[[2-(2-methylundecanoylamino)phenyl]disulfanyl]phenyl]undecanamide
CID 57116569
2-methyl-N-phenylpentanamide
CID 4627801
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide
CID 70960231
(2S)-2-(dodecylcarbamoylamino)-3-phenyl-N-pyridin-4-ylpropanamide
CID 10456550
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
2-propylsulfonyl-N-pyridin-4-ylpropanamide
CID 60572366
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
2-[7,13-bis[(3-hydroxyphenyl)carbamoyl]octadecyl]-9-methyldecanedioic acid
CID 146333454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-4-yldodecanamide?
The IUPAC name of 2-methyl-N-pyridin-4-yldodecanamide (CID 175060967) is 2-methyl-N-pyridin-4-yldodecanamide.
What is the SMILES notation for 2-methyl-N-pyridin-4-yldodecanamide?
The canonical SMILES for 2-methyl-N-pyridin-4-yldodecanamide is CCCCCCCCCCC(C)C(=O)Nc1ccncc1.
What is the InChIKey of 2-methyl-N-pyridin-4-yldodecanamide?
The InChIKey is PGVWDZUSBWANHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-4-5-6-7-8-9-10-11-16(2)18(21)20-17-12-14-19-15-13-17/h12-16H,3-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-pyridin-4-yldodecanamide?
2-methyl-N-pyridin-4-yldodecanamide has a molecular weight of 290.45 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-4-yldodecanamide is sourced from PubChem (CID 175060967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).