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

C24H32ClN3O3 — CID 90151058

IUPAC5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NC(C)c2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)21-13-18(25)12-20(16(21)4)23(29)27-17(5)22-14(2)11-15(3)26-24(22)30/h11-13,17,19H,6-10H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyRQDRDIYESFOMDE-UHFFFAOYSA-N
MW445.99 g/mol
LogP4.45
Rot. Bonds6

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

5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (PubChem CID 90151058) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
PubChem CID90151058
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NC(C)c2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)21-13-18(25)12-20(16(21)4)23(29)27-17(5)22-14(2)11-15(3)26-24(22)30/h11-13,17,19H,6-10H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyRQDRDIYESFOMDE-UHFFFAOYSA-N
XLogP4.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CID 90151058) is 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NC(C)c2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The InChIKey is RQDRDIYESFOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)21-13-18(25)12-20(16(21)4)23(29)27-17(5)22-14(2)11-15(3)26-24(22)30/h11-13,17,19H,6-10H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide has a molecular weight of 445.99 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 90151058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).