4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C18H22N2O2 — CID 175223721

IUPAC4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)Cc1c[nH]c2ccc(C3=CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C18H22N2O2/c1-12(2)9-15-11-19-17-4-3-14(10-16(15)17)13-5-7-20(8-6-13)18(21)22/h3-5,10-12,19H,6-9H2,1-2H3,(H,21,22)
InChIKeyPORFQDRLCSLFAC-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.13
Rot. Bonds3

About 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175223721) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175223721
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)Cc1c[nH]c2ccc(C3=CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C18H22N2O2/c1-12(2)9-15-11-19-17-4-3-14(10-16(15)17)13-5-7-20(8-6-13)18(21)22/h3-5,10-12,19H,6-9H2,1-2H3,(H,21,22)
InChIKeyPORFQDRLCSLFAC-UHFFFAOYSA-N
XLogP4.13
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-amino-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958274
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
2-[(5-hydroxy-1H-indol-3-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 57320278
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10384807
3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
(2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 25111495
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9017616
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-methylphenyl)ethanone
CID 113086953
4-(3-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118628523
6-(2-methylpropyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrimidin-2-one
CID 131945130

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175223721) is 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC(C)Cc1c[nH]c2ccc(C3=CCN(C(=O)O)CC3)cc12.
What is the InChIKey of 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PORFQDRLCSLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)9-15-11-19-17-4-3-14(10-16(15)17)13-5-7-20(8-6-13)18(21)22/h3-5,10-12,19H,6-9H2,1-2H3,(H,21,22).
What are the key properties of 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175223721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).