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

C14H12ClN3O — CID 10730997

IUPAC6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClN3O/c15-11-4-3-10-5-7-18(13(10)8-11)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
InChIKeyLOMPSBWQXLVHJX-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.33
Rot. Bonds1

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

6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10730997) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10730997
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClN3O/c15-11-4-3-10-5-7-18(13(10)8-11)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
InChIKeyLOMPSBWQXLVHJX-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10730997) is 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is LOMPSBWQXLVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-4-3-10-5-7-18(13(10)8-11)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19).
What are the key properties of 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10730997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).