methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate

C16H12N2O3 — CID 11737569

IUPACmethyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O3/c1-21-16(20)11-6-7-17-8-12(11)15(19)13-9-18-14-5-3-2-4-10(13)14/h2-9,18H,1H3
InChIKeyNAJFBNAIKOEFMG-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.58
Rot. Bonds3

About methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate

methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate (PubChem CID 11737569) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
PubChem CID11737569
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namemethyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O3/c1-21-16(20)11-6-7-17-8-12(11)15(19)13-9-18-14-5-3-2-4-10(13)14/h2-9,18H,1H3
InChIKeyNAJFBNAIKOEFMG-UHFFFAOYSA-N
XLogP2.58
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
CID 44577794
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate (CID 11737569) is methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate is COC(=O)c1ccncc1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate?
The InChIKey is NAJFBNAIKOEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-16(20)11-6-7-17-8-12(11)15(19)13-9-18-14-5-3-2-4-10(13)14/h2-9,18H,1H3.
What are the key properties of methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate?
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate is sourced from PubChem (CID 11737569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).