propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate

C18H16N2O3 — CID 139560827

IUPACpropan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H16N2O3/c1-11(2)23-18(22)16-9-5-8-15(20-16)17(21)13-10-19-14-7-4-3-6-12(13)14/h3-11,19H,1-2H3
InChIKeySPQHOHHVPCJQRQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.36
Rot. Bonds4

About propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate

propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate (PubChem CID 139560827) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
PubChem CID139560827
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namepropan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H16N2O3/c1-11(2)23-18(22)16-9-5-8-15(20-16)17(21)13-10-19-14-7-4-3-6-12(13)14/h3-11,19H,1-2H3
InChIKeySPQHOHHVPCJQRQ-UHFFFAOYSA-N
XLogP3.36
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone
CID 139561362
propan-2-yl 4-(1H-indole-3-carbonylamino)benzoate
CID 39964134
[(1R)-1-cyanoethyl] 1H-indole-3-carboxylate
CID 7889014
methyl 2-[2-(1H-indol-3-yl)-2-oxoacetyl]oxypropanoate
CID 10492618
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 30060169
propan-2-yl 1H-indole-3-carboximidate
CID 174294951

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate (CID 139560827) is propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is SPQHOHHVPCJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(2)23-18(22)16-9-5-8-15(20-16)17(21)13-10-19-14-7-4-3-6-12(13)14/h3-11,19H,1-2H3.
What are the key properties of propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 139560827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).