5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

C26H36ClFN4O3 — CID 90252807

IUPAC5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(OC)[nH]c(C)c(F)c2=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C26H36ClFN4O3/c1-7-32(19-10-8-18(9-11-19)31(4)5)22-13-17(27)12-20(15(22)2)25(34)29-14-21-24(33)23(28)16(3)30-26(21)35-6/h12-13,18-19H,7-11,14H2,1-6H3,(H,29,34)(H,30,33)
InChIKeyGMBBBJKJWVIAPC-UHFFFAOYSA-N
MW507.05 g/mol
LogP4.42
Rot. Bonds8

About 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide

5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (PubChem CID 90252807) has the molecular formula C26H36ClFN4O3 and a molecular weight of 507.05 g/mol. Its IUPAC name is 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
PubChem CID90252807
Molecular FormulaC26H36ClFN4O3
Molecular Weight507.05 g/mol
Exact Mass506.25
IUPAC Name5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(OC)[nH]c(C)c(F)c2=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C26H36ClFN4O3/c1-7-32(19-10-8-18(9-11-19)31(4)5)22-13-17(27)12-20(15(22)2)25(34)29-14-21-24(33)23(28)16(3)30-26(21)35-6/h12-13,18-19H,7-11,14H2,1-6H3,(H,29,34)(H,30,33)
InChIKeyGMBBBJKJWVIAPC-UHFFFAOYSA-N
XLogP4.42
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.05
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(6-methoxy-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252874
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2-thiazol-5-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252875
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2,4-triazol-1-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252803
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,7-dimethyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylbenzamide
CID 158394729
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(2-methyl-3-morpholin-4-yl-5-oxo-1H-pyrazol-4-yl)methyl]benzamide
CID 90469065
tert-butyl-[4-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]carbamic acid
CID 90150990
5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide
CID 90252929
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(4-phenyl-1H-imidazol-5-yl)methyl]benzamide
CID 86288461
5-chloro-3-[ethyl-[4-[methyl(pyridin-3-ylmethyl)amino]cyclohexyl]amino]-N-[(3-methoxy-5-methyl-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
CID 90469471
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide
CID 137382035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide (CID 90252807) is 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCc2c(OC)[nH]c(C)c(F)c2=O)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
The InChIKey is GMBBBJKJWVIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClFN4O3/c1-7-32(19-10-8-18(9-11-19)31(4)5)22-13-17(27)12-20(15(22)2)25(34)29-14-21-24(33)23(28)16(3)30-26(21)35-6/h12-13,18-19H,7-11,14H2,1-6H3,(H,29,34)(H,30,33).
What are the key properties of 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide?
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide has a molecular weight of 507.05 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 90252807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).