methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate

C15H11N3O3 — CID 148584588

IUPACmethyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H11N3O3/c1-21-15(20)13-6-12(17-8-18-13)14(19)10-7-16-11-5-3-2-4-9(10)11/h2-8,16H,1H3
InChIKeyMZKXTUGFROUMON-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.98
Rot. Bonds3

About methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate

methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate (PubChem CID 148584588) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
PubChem CID148584588
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Namemethyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C15H11N3O3/c1-21-15(20)13-6-12(17-8-18-13)14(19)10-7-16-11-5-3-2-4-9(10)11/h2-8,16H,1H3
InChIKeyMZKXTUGFROUMON-UHFFFAOYSA-N
XLogP1.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate (CID 148584588) is methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate is COC(=O)c1cc(C(=O)c2c[nH]c3ccccc23)ncn1.
What is the InChIKey of methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate?
The InChIKey is MZKXTUGFROUMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-15(20)13-6-12(17-8-18-13)14(19)10-7-16-11-5-3-2-4-9(10)11/h2-8,16H,1H3.
What are the key properties of methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate?
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 148584588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).