6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C16H16ClN3O2 — CID 10543551

IUPAC6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCCOc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C16H16ClN3O2/c1-2-22-15-8-11-5-7-20(14(11)9-13(15)17)16(21)19-12-4-3-6-18-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,21)
InChIKeyMBRDIINAXPZGKG-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.73
Rot. Bonds3

About 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10543551) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10543551
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCCOc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C16H16ClN3O2/c1-2-22-15-8-11-5-7-20(14(11)9-13(15)17)16(21)19-12-4-3-6-18-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,21)
InChIKeyMBRDIINAXPZGKG-UHFFFAOYSA-N
XLogP3.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10543551) is 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CCOc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is MBRDIINAXPZGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-2-22-15-8-11-5-7-20(14(11)9-13(15)17)16(21)19-12-4-3-6-18-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,21).
What are the key properties of 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethoxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10543551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).