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

C17H18ClN3O2 — CID 10592633

IUPAC6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)Oc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C17H18ClN3O2/c1-11(2)23-16-8-12-5-7-21(15(12)9-14(16)18)17(22)20-13-4-3-6-19-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,22)
InChIKeyNBZBBVVAKCCMHN-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.12
Rot. Bonds3

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

6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10592633) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10592633
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)Oc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C17H18ClN3O2/c1-11(2)23-16-8-12-5-7-21(15(12)9-14(16)18)17(22)20-13-4-3-6-19-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,22)
InChIKeyNBZBBVVAKCCMHN-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10592633) is 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CC(C)Oc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is NBZBBVVAKCCMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(2)23-16-8-12-5-7-21(15(12)9-14(16)18)17(22)20-13-4-3-6-19-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,22).
What are the key properties of 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yloxy-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10592633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).