6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide

C19H22N6O2 — CID 71526692

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1ccc(NC2Cc3ccccc3C2)nn1
InChIInChI=1S/C19H22N6O2/c26-18(20-7-9-25-10-8-21-19(25)27)16-5-6-17(24-23-16)22-15-11-13-3-1-2-4-14(13)12-15/h1-6,15H,7-12H2,(H,20,26)(H,21,27)(H,22,24)
InChIKeyYADYSZAPWNDRJE-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.81
Rot. Bonds6

About 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide

6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 71526692) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID71526692
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1ccc(NC2Cc3ccccc3C2)nn1
InChIInChI=1S/C19H22N6O2/c26-18(20-7-9-25-10-8-21-19(25)27)16-5-6-17(24-23-16)22-15-11-13-3-1-2-4-14(13)12-15/h1-6,15H,7-12H2,(H,20,26)(H,21,27)(H,22,24)
InChIKeyYADYSZAPWNDRJE-UHFFFAOYSA-N
XLogP0.81
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide (CID 71526692) is 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide is O=C(NCCN1CCNC1=O)c1ccc(NC2Cc3ccccc3C2)nn1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is YADYSZAPWNDRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-18(20-7-9-25-10-8-21-19(25)27)16-5-6-17(24-23-16)22-15-11-13-3-1-2-4-14(13)12-15/h1-6,15H,7-12H2,(H,20,26)(H,21,27)(H,22,24).
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71526692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).