6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane

C22H27ClN2O2 — CID 177140219

IUPAC6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
SMILESC=CC1=C(/C=C\C)OCCC1NC(=O)c1cc2ccc(Cl)cc2n1C.CC
InChIInChI=1S/C20H21ClN2O2.C2H6/c1-4-6-19-15(5-2)16(9-10-25-19)22-20(24)18-11-13-7-8-14(21)12-17(13)23(18)3;1-2/h4-8,11-12,16H,2,9-10H2,1,3H3,(H,22,24);1-2H3/b6-4-;
InChIKeyAJIOBQCXIATONV-YHSAGPEESA-N
MW386.92 g/mol
LogP5.39
Rot. Bonds4

About 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane

6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane (PubChem CID 177140219) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane.

Molecular Properties

Compound Name6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
PubChem CID177140219
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
SMILESC=CC1=C(/C=C\C)OCCC1NC(=O)c1cc2ccc(Cl)cc2n1C.CC
InChIInChI=1S/C20H21ClN2O2.C2H6/c1-4-6-19-15(5-2)16(9-10-25-19)22-20(24)18-11-13-7-8-14(21)12-17(13)23(18)3;1-2/h4-8,11-12,16H,2,9-10H2,1,3H3,(H,22,24);1-2H3/b6-4-;
InChIKeyAJIOBQCXIATONV-YHSAGPEESA-N
XLogP5.39
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-cyclopropyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-8-yl)-1-methylindole-2-carboxamide
CID 177140227
6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
CID 177140466
6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
CID 177140131
6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide
CID 177140147
6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)indole-2-carboxamide
CID 177139990
6-chloro-N-[7-(2-hydroxypropan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-4-yl]-1-methylindole-2-carboxamide
CID 177140522
(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
CID 177140251
6-chloro-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177140066
6-chloro-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-methylindole-2-carboxamide
CID 177140108
6-chloro-N-(6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177139941
6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide
CID 177139885
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane?
The IUPAC name of 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane (CID 177140219) is 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane.
What is the SMILES notation for 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane?
The canonical SMILES for 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane is C=CC1=C(/C=C\C)OCCC1NC(=O)c1cc2ccc(Cl)cc2n1C.CC.
What is the InChIKey of 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane?
The InChIKey is AJIOBQCXIATONV-YHSAGPEESA-N. The full InChI is InChI=1S/C20H21ClN2O2.C2H6/c1-4-6-19-15(5-2)16(9-10-25-19)22-20(24)18-11-13-7-8-14(21)12-17(13)23(18)3;1-2/h4-8,11-12,16H,2,9-10H2,1,3H3,(H,22,24);1-2H3/b6-4-;.
What are the key properties of 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane?
6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane has a molecular weight of 386.92 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane is sourced from PubChem (CID 177140219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).