N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide

C15H15N3O — CID 42941214

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)C1CCc2ccccc21
InChIInChI=1S/C15H15N3O/c1-18(15(19)13-10-16-8-9-17-13)14-7-6-11-4-2-3-5-12(11)14/h2-5,8-10,14H,6-7H2,1H3
InChIKeyVHLATCVHIOZUJE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.24
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide (PubChem CID 42941214) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
PubChem CID42941214
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)C1CCc2ccccc21
InChIInChI=1S/C15H15N3O/c1-18(15(19)13-10-16-8-9-17-13)14-7-6-11-4-2-3-5-12(11)14/h2-5,8-10,14H,6-7H2,1H3
InChIKeyVHLATCVHIOZUJE-UHFFFAOYSA-N
XLogP2.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide (CID 42941214) is N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnccn1)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide?
The InChIKey is VHLATCVHIOZUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(15(19)13-10-16-8-9-17-13)14-7-6-11-4-2-3-5-12(11)14/h2-5,8-10,14H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42941214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).