ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate

C17H14ClN3O3 — CID 18367787

IUPACethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)c2cccnc2)c(N)c2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3O3/c1-2-24-17(23)21-13-8-11(18)5-6-12(13)14(19)15(21)16(22)10-4-3-7-20-9-10/h3-9H,2,19H2,1H3
InChIKeyUSWLUKWHBKGABZ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.51
Rot. Bonds3

About ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate

ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate (PubChem CID 18367787) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate
PubChem CID18367787
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Nameethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate
SMILESCCOC(=O)n1c(C(=O)c2cccnc2)c(N)c2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3O3/c1-2-24-17(23)21-13-8-11(18)5-6-12(13)14(19)15(21)16(22)10-4-3-7-20-9-10/h3-9H,2,19H2,1H3
InChIKeyUSWLUKWHBKGABZ-UHFFFAOYSA-N
XLogP3.51
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate?
The IUPAC name of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate (CID 18367787) is ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate?
The canonical SMILES for ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate is CCOC(=O)n1c(C(=O)c2cccnc2)c(N)c2ccc(Cl)cc21.
What is the InChIKey of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate?
The InChIKey is USWLUKWHBKGABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-2-24-17(23)21-13-8-11(18)5-6-12(13)14(19)15(21)16(22)10-4-3-7-20-9-10/h3-9H,2,19H2,1H3.
What are the key properties of ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate?
ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-chloro-2-(pyridine-3-carbonyl)indole-1-carboxylate is sourced from PubChem (CID 18367787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).