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

C25H34Cl2N4O3 — CID 90237797

IUPAC5-chloro-N-[(6-chloro-2-methyl-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(Cl)N=C(C)CC2=O)c1C)C1CCN(CCOC)CC1
InChIInChI=1S/C25H34Cl2N4O3/c1-5-31(19-6-8-30(9-7-19)10-11-34-4)22-14-18(26)13-20(17(22)3)25(33)28-15-21-23(32)12-16(2)29-24(21)27/h13-14,19H,5-12,15H2,1-4H3,(H,28,33)
InChIKeyUHEWTHYBYQBMKX-UHFFFAOYSA-N
MW509.48 g/mol
LogP4.20
Rot. Bonds9

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

5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide (PubChem CID 90237797) has the molecular formula C25H34Cl2N4O3 and a molecular weight of 509.48 g/mol. Its IUPAC name is 5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide
PubChem CID90237797
Molecular FormulaC25H34Cl2N4O3
Molecular Weight509.48 g/mol
Exact Mass508.20
IUPAC Name5-chloro-N-[(6-chloro-2-methyl-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(Cl)N=C(C)CC2=O)c1C)C1CCN(CCOC)CC1
InChIInChI=1S/C25H34Cl2N4O3/c1-5-31(19-6-8-30(9-7-19)10-11-34-4)22-14-18(26)13-20(17(22)3)25(33)28-15-21-23(32)12-16(2)29-24(21)27/h13-14,19H,5-12,15H2,1-4H3,(H,28,33)
InChIKeyUHEWTHYBYQBMKX-UHFFFAOYSA-N
XLogP4.20
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 66576313
5-chloro-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 70913076
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 70913205
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(4-methyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 70913211
5-chloro-N-[(6-ethyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 70913543
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]benzamide
CID 90151131
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 90151485
5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 90151560
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 168288337
5-chloro-3-(dimethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576160
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
5-chloro-N-[1-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)ethyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 90151058

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6-chloro-2-methyl-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-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide (CID 90237797) is 5-chloro-N-[(6-chloro-2-methyl-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-[(6-chloro-2-methyl-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-[(6-chloro-2-methyl-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(Cl)N=C(C)CC2=O)c1C)C1CCN(CCOC)CC1.
What is the InChIKey of 5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide?
The InChIKey is UHEWTHYBYQBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Cl2N4O3/c1-5-31(19-6-8-30(9-7-19)10-11-34-4)22-14-18(26)13-20(17(22)3)25(33)28-15-21-23(32)12-16(2)29-24(21)27/h13-14,19H,5-12,15H2,1-4H3,(H,28,33).
What are the key properties of 5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide?
5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide has a molecular weight of 509.48 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 90237797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).