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

C17H18ClN3O — CID 10495578

IUPAC6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C17H18ClN3O/c1-11(2)14-8-12-5-7-21(16(12)9-15(14)18)17(22)20-13-4-3-6-19-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,22)
InChIKeyHDBXAVYYGFJNFM-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.45
Rot. Bonds2

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

6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10495578) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10495578
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C17H18ClN3O/c1-11(2)14-8-12-5-7-21(16(12)9-15(14)18)17(22)20-13-4-3-6-19-10-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,22)
InChIKeyHDBXAVYYGFJNFM-UHFFFAOYSA-N
XLogP4.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10495578) is 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CC(C)c1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is HDBXAVYYGFJNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-11(2)14-8-12-5-7-21(16(12)9-15(14)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-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10495578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).