6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H20N6O3 — CID 165415304

IUPAC6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(O)c2c1CCCC2=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H20N6O3/c29-17-3-1-2-14-15(6-7-18(30)19(14)17)28-22(31)20-21(26-13-8-23-11-24-9-13)25-10-16(27-20)12-4-5-12/h6-12,30H,1-5H2,(H,25,26)(H,28,31)
InChIKeySSESHLSENJHPPC-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.36
Rot. Bonds5

About 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415304) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415304
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(O)c2c1CCCC2=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H20N6O3/c29-17-3-1-2-14-15(6-7-18(30)19(14)17)28-22(31)20-21(26-13-8-23-11-24-9-13)25-10-16(27-20)12-4-5-12/h6-12,30H,1-5H2,(H,25,26)(H,28,31)
InChIKeySSESHLSENJHPPC-UHFFFAOYSA-N
XLogP3.36
TPSA129.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-(4-hydroxy-3-propanoylphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415265
6-(cyclohexylamino)-N-(4-hydroxy-1-naphthyl)pyrimidine-4-carboxamide
CID 25182625
6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 25182747
N-[(3R,4R)-4-[[4-(8-fluoro-6-hydroxy-2-methylquinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyrimidine-4-carboxamide
CID 90966518
N-[(3R,4R)-4-[[4-(8-fluoro-6-hydroxyquinoline-7-carbonyl)benzoyl]amino]azepan-3-yl]pyrimidine-4-carboxamide
CID 91015660
5-Amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 175958735
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-pyridin-3-ylpyrimidine-4-carboxamide
CID 177283482
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-pyridin-4-ylpyrimidine-4-carboxamide
CID 177283512
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-5-ylpyridine-2-carboxamide
CID 177283569
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide
CID 177283616
5-Amino-2-(6-amino-3-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283639
5-Amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283715

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415304) is 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(O)c2c1CCCC2=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is SSESHLSENJHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-17-3-1-2-14-15(6-7-18(30)19(14)17)28-22(31)20-21(26-13-8-23-11-24-9-13)25-10-16(27-20)12-4-5-12/h6-12,30H,1-5H2,(H,25,26)(H,28,31).
What are the key properties of 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).