4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C14H11Cl2N3O — CID 10566712

IUPAC4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C14H11Cl2N3O/c15-11-3-4-12-10(13(11)16)5-7-19(12)14(20)18-9-2-1-6-17-8-9/h1-4,6,8H,5,7H2,(H,18,20)
InChIKeyZDDXCYKFUQNTQB-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.98
Rot. Bonds1

About 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10566712) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10566712
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C14H11Cl2N3O/c15-11-3-4-12-10(13(11)16)5-7-19(12)14(20)18-9-2-1-6-17-8-9/h1-4,6,8H,5,7H2,(H,18,20)
InChIKeyZDDXCYKFUQNTQB-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10566712) is 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is ZDDXCYKFUQNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-3-4-12-10(13(11)16)5-7-19(12)14(20)18-9-2-1-6-17-8-9/h1-4,6,8H,5,7H2,(H,18,20).
What are the key properties of 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 308.17 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10566712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).