6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide

C20H22ClN3O2 — CID 177140163

IUPAC6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(C(C)(C)O)cn1
InChIInChI=1S/C20H22ClN3O2/c1-12(16-8-6-14(11-22-16)20(2,3)26)23-19(25)18-9-13-5-7-15(21)10-17(13)24(18)4/h5-12,26H,1-4H3,(H,23,25)
InChIKeyHIRWEQGPUKVAMF-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.95
Rot. Bonds4

About 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide

6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide (PubChem CID 177140163) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
PubChem CID177140163
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(C(C)(C)O)cn1
InChIInChI=1S/C20H22ClN3O2/c1-12(16-8-6-14(11-22-16)20(2,3)26)23-19(25)18-9-13-5-7-15(21)10-17(13)24(18)4/h5-12,26H,1-4H3,(H,23,25)
InChIKeyHIRWEQGPUKVAMF-UHFFFAOYSA-N
XLogP3.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-methyl-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]indole-2-carboxamide
CID 177140331
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177
5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
CID 67290649
N-[1-(6-aminosulfanyl-5-chloro-3-pyridinyl)ethyl]-6-chloro-1-methylindole-2-carboxamide;ethane
CID 177140289
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[1-(2-chloro-4-methylsulfonylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177140120
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
6-chloro-N-[1-[3-methanimidoyl-4-(methylamino)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177139948
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-[1-(3-cyano-4-sulfinamoylphenyl)ethyl]-1-methylindole-2-carboxamide
CID 177139968
N-tert-butyl-1,6-dimethylindole-2-carboxamide
CID 110855330

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide (CID 177140163) is 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide is CC(NC(=O)c1cc2ccc(Cl)cc2n1C)c1ccc(C(C)(C)O)cn1.
What is the InChIKey of 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide?
The InChIKey is HIRWEQGPUKVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12(16-8-6-14(11-22-16)20(2,3)26)23-19(25)18-9-13-5-7-15(21)10-17(13)24(18)4/h5-12,26H,1-4H3,(H,23,25).
What are the key properties of 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide?
6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).