3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride

C19H26Cl2N2O2 — CID 11847707

IUPAC3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride
SMILESCCCCCCCc1cc(=O)c(-c2c(C)[nH]c(C)c(Cl)c2=O)c[nH]1.Cl
InChIInChI=1S/C19H25ClN2O2.ClH/c1-4-5-6-7-8-9-14-10-16(23)15(11-21-14)17-12(2)22-13(3)18(20)19(17)24;/h10-11H,4-9H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyCPXCDQNAWFGOIO-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.94
Rot. Bonds7

About 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride

3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride (PubChem CID 11847707) has the molecular formula C19H26Cl2N2O2 and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride
PubChem CID11847707
Molecular FormulaC19H26Cl2N2O2
Molecular Weight385.34 g/mol
Exact Mass384.14
IUPAC Name3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride
SMILESCCCCCCCc1cc(=O)c(-c2c(C)[nH]c(C)c(Cl)c2=O)c[nH]1.Cl
InChIInChI=1S/C19H25ClN2O2.ClH/c1-4-5-6-7-8-9-14-10-16(23)15(11-21-14)17-12(2)22-13(3)18(20)19(17)24;/h10-11H,4-9H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyCPXCDQNAWFGOIO-UHFFFAOYSA-N
XLogP4.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride with MolForge

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Related Compounds

3-[6-(4-butoxyphenyl)-4-oxo-1H-pyridin-3-yl]-5-chloro-2,6-dimethyl-1H-pyridin-4-one
CID 69059401
2-heptyl-1H-quinolin-4-one
CID 172676765
2-heptyl-1H-quinolin-4-one
CID 172676764
3-chloro-4-pentylcyclobut-3-ene-1,2-dione
CID 88506300
4-pentyl-1,3-dihydroimidazole-2-thione
CID 24839030
2-butyl-4-tert-butyl-1H-pyrrole
CID 155369940
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
2-(bromomethyl)-5-octadecoxy-1H-pyridin-4-one
CID 19019338
2-heptyl-6-(2-sulfanylethyl)-1H-quinolin-4-one
CID 156870341
5-octadecyl-1H-pyrrole-2-carbaldehyde
CID 10360349
6-chloro-5-hexyl-1H-pyrimidine-2,4-dione
CID 23648511
5-hexyl-1H-imidazole
CID 14225142

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride (CID 11847707) is 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride is CCCCCCCc1cc(=O)c(-c2c(C)[nH]c(C)c(Cl)c2=O)c[nH]1.Cl.
What is the InChIKey of 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
The InChIKey is CPXCDQNAWFGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2.ClH/c1-4-5-6-7-8-9-14-10-16(23)15(11-21-14)17-12(2)22-13(3)18(20)19(17)24;/h10-11H,4-9H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride has a molecular weight of 385.34 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-heptyl-4-oxo-1H-pyridin-3-yl)-2,6-dimethyl-1H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 11847707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).