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

C17H19N3O — CID 10660479

IUPAC5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C17H19N3O/c1-12(2)13-5-6-16-14(10-13)7-9-20(16)17(21)19-15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,21)
InChIKeyRPWNUVPNNDNAAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.80
Rot. Bonds2

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

5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10660479) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10660479
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C17H19N3O/c1-12(2)13-5-6-16-14(10-13)7-9-20(16)17(21)19-15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,21)
InChIKeyRPWNUVPNNDNAAT-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10660479) is 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CC(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1.
What is the InChIKey of 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is RPWNUVPNNDNAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(2)13-5-6-16-14(10-13)7-9-20(16)17(21)19-15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,21).
What are the key properties of 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10660479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).