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

C26H37ClN4O3 — CID 90237578

IUPAC5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC2=C(C)N=C(C)CC2=O)c1C)C1CCN(CCOC)CC1
InChIInChI=1S/C26H37ClN4O3/c1-6-31(21-7-9-30(10-8-21)11-12-34-5)24-15-20(27)14-22(18(24)3)26(33)28-16-23-19(4)29-17(2)13-25(23)32/h14-15,21H,6-13,16H2,1-5H3,(H,28,33)
InChIKeyLVXRUEZVRKUMRB-UHFFFAOYSA-N
MW489.06 g/mol
LogP4.02
Rot. Bonds9

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

5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide (PubChem CID 90237578) has the molecular formula C26H37ClN4O3 and a molecular weight of 489.06 g/mol. Its IUPAC name is 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide
PubChem CID90237578
Molecular FormulaC26H37ClN4O3
Molecular Weight489.06 g/mol
Exact Mass488.26
IUPAC Name5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC2=C(C)N=C(C)CC2=O)c1C)C1CCN(CCOC)CC1
InChIInChI=1S/C26H37ClN4O3/c1-6-31(21-7-9-30(10-8-21)11-12-34-5)24-15-20(27)14-22(18(24)3)26(33)28-16-23-19(4)29-17(2)13-25(23)32/h14-15,21H,6-13,16H2,1-5H3,(H,28,33)
InChIKeyLVXRUEZVRKUMRB-UHFFFAOYSA-N
XLogP4.02
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.06
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide (CID 90237578) is 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCC2=C(C)N=C(C)CC2=O)c1C)C1CCN(CCOC)CC1.
What is the InChIKey of 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide?
The InChIKey is LVXRUEZVRKUMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37ClN4O3/c1-6-31(21-7-9-30(10-8-21)11-12-34-5)24-15-20(27)14-22(18(24)3)26(33)28-16-23-19(4)29-17(2)13-25(23)32/h14-15,21H,6-13,16H2,1-5H3,(H,28,33).
What are the key properties of 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide?
5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide has a molecular weight of 489.06 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 90237578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).