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

C24H32ClN3O3 — CID 70913076

IUPAC5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCOCC2)c1C
InChIInChI=1S/C24H32ClN3O3/c1-5-17-11-15(3)27-24(30)21(17)14-26-23(29)20-12-18(25)13-22(16(20)4)28(6-2)19-7-9-31-10-8-19/h11-13,19H,5-10,14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyQJVOGWFUQFOCCE-UHFFFAOYSA-N
MW445.99 g/mol
LogP4.14
Rot. Bonds7

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

5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (PubChem CID 70913076) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
PubChem CID70913076
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCOCC2)c1C
InChIInChI=1S/C24H32ClN3O3/c1-5-17-11-15(3)27-24(30)21(17)14-26-23(29)20-12-18(25)13-22(16(20)4)28(6-2)19-7-9-31-10-8-19/h11-13,19H,5-10,14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyQJVOGWFUQFOCCE-UHFFFAOYSA-N
XLogP4.14
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CID 70913076) is 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)C2CCOCC2)c1C.
What is the InChIKey of 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The InChIKey is QJVOGWFUQFOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-5-17-11-15(3)27-24(30)21(17)14-26-23(29)20-12-18(25)13-22(16(20)4)28(6-2)19-7-9-31-10-8-19/h11-13,19H,5-10,14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide has a molecular weight of 445.99 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 70913076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).