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

C14H12ClN3O — CID 10826147

IUPAC5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C14H12ClN3O/c15-11-3-4-13-10(8-11)5-7-18(13)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
InChIKeyBYXYRVSXGVLRKM-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.33
Rot. Bonds1

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

5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10826147) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10826147
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C14H12ClN3O/c15-11-3-4-13-10(8-11)5-7-18(13)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
InChIKeyBYXYRVSXGVLRKM-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 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10826147) is 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is BYXYRVSXGVLRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-3-4-13-10(8-11)5-7-18(13)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 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
5-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 5-chloro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10826147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).