N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide

C18H22N4O — CID 118777870

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cnccn1
InChIInChI=1S/C18H22N4O/c1-22(13-17-12-19-8-9-20-17)10-7-18(23)21-16-6-5-14-3-2-4-15(14)11-16/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,21,23)
InChIKeyZMJCTTUCAQIJMY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.43
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide (PubChem CID 118777870) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide
PubChem CID118777870
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cnccn1
InChIInChI=1S/C18H22N4O/c1-22(13-17-12-19-8-9-20-17)10-7-18(23)21-16-6-5-14-3-2-4-15(14)11-16/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,21,23)
InChIKeyZMJCTTUCAQIJMY-UHFFFAOYSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide (CID 118777870) is N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cnccn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide?
The InChIKey is ZMJCTTUCAQIJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(13-17-12-19-8-9-20-17)10-7-18(23)21-16-6-5-14-3-2-4-15(14)11-16/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[methyl(pyrazin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 118777870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).