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

C16H16ClN3O — CID 10518435

IUPAC6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C16H16ClN3O/c1-2-11-8-12-5-7-20(15(12)9-14(11)17)16(21)19-13-4-3-6-18-10-13/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,21)
InChIKeyOUQBLYJEKPCIMP-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.89
Rot. Bonds2

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

6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10518435) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10518435
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C16H16ClN3O/c1-2-11-8-12-5-7-20(15(12)9-14(11)17)16(21)19-13-4-3-6-18-10-13/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,21)
InChIKeyOUQBLYJEKPCIMP-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10518435) is 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CCc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is OUQBLYJEKPCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-2-11-8-12-5-7-20(15(12)9-14(11)17)16(21)19-13-4-3-6-18-10-13/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,21).
What are the key properties of 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10518435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).