6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide

C21H20ClN3O3 — CID 177140131

IUPAC6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
SMILESCNC(=O)c1ccc2c(c1)OCC[C@H]2NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C21H20ClN3O3/c1-23-20(26)13-4-6-15-16(7-8-28-19(15)10-13)24-21(27)18-9-12-3-5-14(22)11-17(12)25(18)2/h3-6,9-11,16H,7-8H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyHWCKVYUZYNWKOG-MRXNPFEDSA-N
MW397.86 g/mol
LogP3.44
Rot. Bonds3

About 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide

6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide (PubChem CID 177140131) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
PubChem CID177140131
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
SMILESCNC(=O)c1ccc2c(c1)OCC[C@H]2NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C21H20ClN3O3/c1-23-20(26)13-4-6-15-16(7-8-28-19(15)10-13)24-21(27)18-9-12-3-5-14(22)11-17(12)25(18)2/h3-6,9-11,16H,7-8H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1
InChIKeyHWCKVYUZYNWKOG-MRXNPFEDSA-N
XLogP3.44
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide
CID 177140147
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
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
(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-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)indole-2-carboxamide
CID 177139990
6-chloro-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-methylindole-2-carboxamide
CID 177140108
6-chloro-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177140066
6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
CID 177140219
6-chloro-N-(6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177139941
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide (CID 177140131) is 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide is CNC(=O)c1ccc2c(c1)OCC[C@H]2NC(=O)c1cc2ccc(Cl)cc2n1C.
What is the InChIKey of 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide?
The InChIKey is HWCKVYUZYNWKOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-23-20(26)13-4-6-15-16(7-8-28-19(15)10-13)24-21(27)18-9-12-3-5-14(22)11-17(12)25(18)2/h3-6,9-11,16H,7-8H2,1-2H3,(H,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide?
6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide is sourced from PubChem (CID 177140131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).