4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C22H27N3O3 — CID 122025007

IUPAC4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C1=CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C22H27N3O3/c1-14-20(18-4-2-3-5-19(18)23-14)15-10-12-25(13-11-15)22(28)24-17-8-6-16(7-9-17)21(26)27/h2-5,10,16-17,23H,6-9,11-13H2,1H3,(H,24,28)(H,26,27)
InChIKeyGWVRXPBZISXFRA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.92
Rot. Bonds3

About 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025007) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025007
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C1=CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C22H27N3O3/c1-14-20(18-4-2-3-5-19(18)23-14)15-10-12-25(13-11-15)22(28)24-17-8-6-16(7-9-17)21(26)27/h2-5,10,16-17,23H,6-9,11-13H2,1H3,(H,24,28)(H,26,27)
InChIKeyGWVRXPBZISXFRA-UHFFFAOYSA-N
XLogP3.92
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-(2-methyl-1H-indol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 167865214
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113086810
4-[(2-methyl-1H-indol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65054581
2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 20867201
3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867218
cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320185
3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086828
4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024905
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079
4-[(2R)-2-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]morpholine
CID 97128541

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122025007) is 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GWVRXPBZISXFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-20(18-4-2-3-5-19(18)23-14)15-10-12-25(13-11-15)22(28)24-17-8-6-16(7-9-17)21(26)27/h2-5,10,16-17,23H,6-9,11-13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 381.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).