methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate

C20H21N3O2 — CID 90152741

IUPACmethyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
SMILESCCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)OC)ccc21
InChIInChI=1S/C20H21N3O2/c1-3-23-9-8-14-10-16(6-7-18(14)23)22-19-17(20(24)25-2)11-15(12-21-19)13-4-5-13/h6-13H,3-5H2,1-2H3,(H,21,22)
InChIKeySWMSHQIODWTDOW-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.46
Rot. Bonds5

About methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate

methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate (PubChem CID 90152741) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
PubChem CID90152741
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Namemethyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
SMILESCCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)OC)ccc21
InChIInChI=1S/C20H21N3O2/c1-3-23-9-8-14-10-16(6-7-18(14)23)22-19-17(20(24)25-2)11-15(12-21-19)13-4-5-13/h6-13H,3-5H2,1-2H3,(H,21,22)
InChIKeySWMSHQIODWTDOW-UHFFFAOYSA-N
XLogP4.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate (CID 90152741) is methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate is CCn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)OC)ccc21.
What is the InChIKey of methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate?
The InChIKey is SWMSHQIODWTDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23-9-8-14-10-16(6-7-18(14)23)22-19-17(20(24)25-2)11-15(12-21-19)13-4-5-13/h6-13H,3-5H2,1-2H3,(H,21,22).
What are the key properties of methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate?
methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 90152741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).