(1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C23H26N4O2 — CID 154567511

IUPAC(1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NC2Cc3ccccc3C2)C[C@@H]2CC[C@H]1N2C(=O)c1cnccn1
InChIInChI=1S/C23H26N4O2/c1-2-23(22(29)26-17-11-15-5-3-4-6-16(15)12-17)13-18-7-8-20(23)27(18)21(28)19-14-24-9-10-25-19/h3-6,9-10,14,17-18,20H,2,7-8,11-13H2,1H3,(H,26,29)/t18-,20+,23+/m0/s1
InChIKeyIDENZGNDKAFDCT-JXHRLWIKSA-N
MW390.49 g/mol
LogP2.53
Rot. Bonds4

About (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154567511) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154567511
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NC2Cc3ccccc3C2)C[C@@H]2CC[C@H]1N2C(=O)c1cnccn1
InChIInChI=1S/C23H26N4O2/c1-2-23(22(29)26-17-11-15-5-3-4-6-16(15)12-17)13-18-7-8-20(23)27(18)21(28)19-14-24-9-10-25-19/h3-6,9-10,14,17-18,20H,2,7-8,11-13H2,1H3,(H,26,29)/t18-,20+,23+/m0/s1
InChIKeyIDENZGNDKAFDCT-JXHRLWIKSA-N
XLogP2.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 154567511) is (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC[C@@]1(C(=O)NC2Cc3ccccc3C2)C[C@@H]2CC[C@H]1N2C(=O)c1cnccn1.
What is the InChIKey of (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IDENZGNDKAFDCT-JXHRLWIKSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-23(22(29)26-17-11-15-5-3-4-6-16(15)12-17)13-18-7-8-20(23)27(18)21(28)19-14-24-9-10-25-19/h3-6,9-10,14,17-18,20H,2,7-8,11-13H2,1H3,(H,26,29)/t18-,20+,23+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-7-(pyrazine-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154567511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).