3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide

C22H23N5O2 — CID 58710570

IUPAC3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CNC3Cc4ccccc4C3O)c2)cnc1N
InChIInChI=1S/C22H23N5O2/c1-24-22(29)19-21(23)26-12-18(27-19)15-7-4-5-13(9-15)11-25-17-10-14-6-2-3-8-16(14)20(17)28/h2-9,12,17,20,25,28H,10-11H2,1H3,(H2,23,26)(H,24,29)
InChIKeyDSGJWQLZSDVRRR-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 58710570) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
PubChem CID58710570
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CNC3Cc4ccccc4C3O)c2)cnc1N
InChIInChI=1S/C22H23N5O2/c1-24-22(29)19-21(23)26-12-18(27-19)15-7-4-5-13(9-15)11-25-17-10-14-6-2-3-8-16(14)20(17)28/h2-9,12,17,20,25,28H,10-11H2,1H3,(H2,23,26)(H,24,29)
InChIKeyDSGJWQLZSDVRRR-UHFFFAOYSA-N
XLogP1.83
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyrazine-2-carboxamide
CID 156291933
N-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440717
3-amino-6-[4-[(dimethylamino)methyl]phenyl]-N-(2-hydroxycyclopentyl)pyrazine-2-carboxamide
CID 168271506
US11046658, Example 40
CID 150228382
US11046658, Example 39
CID 150321545
US11046658, Example 12
CID 151247586
US11046658, Example 42
CID 151996262
US11046658, Example 43B++
CID 152252410
US11046658, Example 41
CID 152594642
US11046658, Example 3
CID 156514114
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59472341
3-amino-N-cyclopentyl-6-[3-(hydroxymethyl)phenyl]pyrazine-2-carboxamide
CID 122185600

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide (CID 58710570) is 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(CNC3Cc4ccccc4C3O)c2)cnc1N.
What is the InChIKey of 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is DSGJWQLZSDVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-24-22(29)19-21(23)26-12-18(27-19)15-7-4-5-13(9-15)11-25-17-10-14-6-2-3-8-16(14)20(17)28/h2-9,12,17,20,25,28H,10-11H2,1H3,(H2,23,26)(H,24,29).
What are the key properties of 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 58710570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).