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

C54H80Cl2N12O4 — CID 144778406

IUPAC5-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
SMILESCC.CCNc1cc(Cl)cc(C(=O)NCc2c(C)n3[nH]cnc3cc2=O)c1C.CCNc1cc(Cl)cc(C(=O)NCc2c(C)n3[nH]ncc3cc2=O)c1C.CN(C)C1CCCCC1.CN(C)C1CCCCC1
InChIInChI=1S/2C18H20ClN5O2.2C8H17N.C2H6/c1-4-20-16-6-12(19)5-14(10(16)2)18(26)21-9-15-11(3)24-13(7-17(15)25)8-22-23-24;1-4-20-15-6-12(19)5-13(10(15)2)18(26)21-8-14-11(3)24-17(7-16(14)25)22-9-23-24;2*1-9(2)8-6-4-3-5-7-8;1-2/h5-8,20,23H,4,9H2,1-3H3,(H,21,26);5-7,9,20H,4,8H2,1-3H3,(H,21,26)(H,22,23);2*8H,3-7H2,1-2H3;1-2H3
InChIKeyIIFYSAUYQRRALG-UHFFFAOYSA-N
MW1032.22 g/mol
LogP10.10
Rot. Bonds12

About 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

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 (PubChem CID 144778406) has the molecular formula C54H80Cl2N12O4 and a molecular weight of 1032.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID144778406
Molecular FormulaC54H80Cl2N12O4
Molecular Weight1032.22 g/mol
Exact Mass1030.58
IUPAC Name5-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
SMILESCC.CCNc1cc(Cl)cc(C(=O)NCc2c(C)n3[nH]cnc3cc2=O)c1C.CCNc1cc(Cl)cc(C(=O)NCc2c(C)n3[nH]ncc3cc2=O)c1C.CN(C)C1CCCCC1.CN(C)C1CCCCC1
InChIInChI=1S/2C18H20ClN5O2.2C8H17N.C2H6/c1-4-20-16-6-12(19)5-14(10(16)2)18(26)21-9-15-11(3)24-13(7-17(15)25)8-22-23-24;1-4-20-15-6-12(19)5-13(10(15)2)18(26)21-8-14-11(3)24-17(7-16(14)25)22-9-23-24;2*1-9(2)8-6-4-3-5-7-8;1-2/h5-8,20,23H,4,9H2,1-3H3,(H,21,26);5-7,9,20H,4,8H2,1-3H3,(H,21,26)(H,22,23);2*8H,3-7H2,1-2H3;1-2H3
InChIKeyIIFYSAUYQRRALG-UHFFFAOYSA-N
XLogP10.10
TPSA189.06 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001032.22
LogP ≤ 510.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

5-chloro-3-(ethylamino)-2-methyl-N-[[6-methyl-2-(methylamino)-4-oxo-1H-pyridin-3-yl]methyl]benzamide;N,N-dimethylcyclohexanamine
CID 144654721
5-chloro-3-(ethylamino)-2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]benzamide
CID 130459350
5-chloro-3-(ethylamino)-N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylbenzamide
CID 130459571
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
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 144778475
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine
CID 144778414
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 144778418
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
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]-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-[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]-N-[(2,7-dimethyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylbenzamide
CID 158394729

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CCNc1cc(Cl)cc(C(=O)NCc2c(C)n3[nH]cnc3cc2=O)c1C.CCNc1cc(Cl)cc(C(=O)NCc2c(C)n3[nH]ncc3cc2=O)c1C.CN(C)C1CCCCC1.CN(C)C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is IIFYSAUYQRRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20ClN5O2.2C8H17N.C2H6/c1-4-20-16-6-12(19)5-14(10(16)2)18(26)21-9-15-11(3)24-13(7-17(15)25)8-22-23-24;1-4-20-15-6-12(19)5-13(10(15)2)18(26)21-8-14-11(3)24-17(7-16(14)25)22-9-23-24;2*1-9(2)8-6-4-3-5-7-8;1-2/h5-8,20,23H,4,9H2,1-3H3,(H,21,26);5-7,9,20H,4,8H2,1-3H3,(H,21,26)(H,22,23);2*8H,3-7H2,1-2H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1032.22 g/mol, XLogP of 10.10, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144778406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).