5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

C18H22ClN3O2 — CID 66576160

IUPAC5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C)c2C)c(=O)[nH]1
InChIInChI=1S/C18H22ClN3O2/c1-10-6-11(2)21-18(24)15(10)9-20-17(23)14-7-13(19)8-16(12(14)3)22(4)5/h6-8H,9H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBNAFKEDZSBDTJX-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (PubChem CID 66576160) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
PubChem CID66576160
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C)c2C)c(=O)[nH]1
InChIInChI=1S/C18H22ClN3O2/c1-10-6-11(2)21-18(24)15(10)9-20-17(23)14-7-13(19)8-16(12(14)3)22(4)5/h6-8H,9H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBNAFKEDZSBDTJX-UHFFFAOYSA-N
XLogP2.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (CID 66576160) is 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C)c2C)c(=O)[nH]1.
What is the InChIKey of 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The InChIKey is BNAFKEDZSBDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-10-6-11(2)21-18(24)15(10)9-20-17(23)14-7-13(19)8-16(12(14)3)22(4)5/h6-8H,9H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide has a molecular weight of 347.85 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 66576160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).