5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C16H18N4O — CID 10517019

IUPAC5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCN(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C16H18N4O/c1-19(2)14-5-6-15-12(10-14)7-9-20(15)16(21)18-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,21)
InChIKeyCBDUBPRIZSXHOV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.74
Rot. Bonds2

About 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10517019) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10517019
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCN(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C16H18N4O/c1-19(2)14-5-6-15-12(10-14)7-9-20(15)16(21)18-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,21)
InChIKeyCBDUBPRIZSXHOV-UHFFFAOYSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10517019) is 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CN(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1.
What is the InChIKey of 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is CBDUBPRIZSXHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19(2)14-5-6-15-12(10-14)7-9-20(15)16(21)18-13-4-3-8-17-11-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,21).
What are the key properties of 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10517019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).