5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine

C26H40ClN5O2 — CID 144654721

IUPAC5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
SMILESCCNc1cc(Cl)cc(C(=O)NCc2c(NC)[nH]c(C)cc2=O)c1C.CN(C)C1CCCCC1
InChIInChI=1S/C18H23ClN4O2.C8H17N/c1-5-21-15-8-12(19)7-13(11(15)3)18(25)22-9-14-16(24)6-10(2)23-17(14)20-4;1-9(2)8-6-4-3-5-7-8/h6-8,21H,5,9H2,1-4H3,(H,22,25)(H2,20,23,24);8H,3-7H2,1-2H3
InChIKeyVYDASZVWMDQEBI-UHFFFAOYSA-N
MW490.09 g/mol
LogP4.93
Rot. Bonds7

About 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine

5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine (PubChem CID 144654721) has the molecular formula C26H40ClN5O2 and a molecular weight of 490.09 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
PubChem CID144654721
Molecular FormulaC26H40ClN5O2
Molecular Weight490.09 g/mol
Exact Mass489.29
IUPAC Name5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
SMILESCCNc1cc(Cl)cc(C(=O)NCc2c(NC)[nH]c(C)cc2=O)c1C.CN(C)C1CCCCC1
InChIInChI=1S/C18H23ClN4O2.C8H17N/c1-5-21-15-8-12(19)7-13(11(15)3)18(25)22-9-14-16(24)6-10(2)23-17(14)20-4;1-9(2)8-6-4-3-5-7-8/h6-8,21H,5,9H2,1-4H3,(H,22,25)(H2,20,23,24);8H,3-7H2,1-2H3
InChIKeyVYDASZVWMDQEBI-UHFFFAOYSA-N
XLogP4.93
TPSA89.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.09
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;5-chloro-3-(ethylamino)-2-methyl-N-[(7-methyl-5-oxo-1H-triazolo[1,5-a]pyridin-6-yl)methyl]benzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144778406
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
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-(1,2,4-triazol-1-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252803
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]-N-[(6-methoxy-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252874
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]benzamide
CID 90151316
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 144778475
N-[(1-benzyl-4-methylimidazol-2-yl)methyl]-5-chloro-3-(ethylamino)-2-methylbenzamide;5-chloro-N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3-(ethylamino)-2-methylbenzamide;bis(N,N-dimethylcyclohexanamine);ethane
CID 144735018
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide
CID 130459350

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine?
The IUPAC name of 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine (CID 144654721) is 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine.
What is the SMILES notation for 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine?
The canonical SMILES for 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine is CCNc1cc(Cl)cc(C(=O)NCc2c(NC)[nH]c(C)cc2=O)c1C.CN(C)C1CCCCC1.
What is the InChIKey of 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine?
The InChIKey is VYDASZVWMDQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2.C8H17N/c1-5-21-15-8-12(19)7-13(11(15)3)18(25)22-9-14-16(24)6-10(2)23-17(14)20-4;1-9(2)8-6-4-3-5-7-8/h6-8,21H,5,9H2,1-4H3,(H,22,25)(H2,20,23,24);8H,3-7H2,1-2H3.
What are the key properties of 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine?
5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine has a molecular weight of 490.09 g/mol, XLogP of 4.93, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine is sourced from PubChem (CID 144654721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).