methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

C22H21N3O2 — CID 67851159

IUPACmethyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2ccc3[nH]ccc3c2)nc1
InChIInChI=1S/C22H21N3O2/c1-13-10-18(21(14(2)25-13)22(26)27-3)17-5-7-20(24-12-17)15-4-6-19-16(11-15)8-9-23-19/h4-12,18,23,25H,1-3H3
InChIKeyPJKZQBBDMYPGSA-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.27
Rot. Bonds3

About methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 67851159) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
PubChem CID67851159
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Namemethyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2ccc3[nH]ccc3c2)nc1
InChIInChI=1S/C22H21N3O2/c1-13-10-18(21(14(2)25-13)22(26)27-3)17-5-7-20(24-12-17)15-4-6-19-16(11-15)8-9-23-19/h4-12,18,23,25H,1-3H3
InChIKeyPJKZQBBDMYPGSA-UHFFFAOYSA-N
XLogP4.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate (CID 67851159) is methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is COC(=O)C1=C(C)NC(C)=CC1c1ccc(-c2ccc3[nH]ccc3c2)nc1.
What is the InChIKey of methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is PJKZQBBDMYPGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-10-18(21(14(2)25-13)22(26)27-3)17-5-7-20(24-12-17)15-4-6-19-16(11-15)8-9-23-19/h4-12,18,23,25H,1-3H3.
What are the key properties of methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate?
methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(1H-indol-5-yl)-3-pyridinyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 67851159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).