8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile

C22H17N5O2 — CID 155340741

IUPAC8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile
SMILESCN1CCC(O)(C#Cc2cccc(-c3ccc4c(C#N)cnc(N)c4n3)c2)C1=O
InChIInChI=1S/C22H17N5O2/c1-27-10-9-22(29,21(27)28)8-7-14-3-2-4-15(11-14)18-6-5-17-16(12-23)13-25-20(24)19(17)26-18/h2-6,11,13,29H,9-10H2,1H3,(H2,24,25)
InChIKeyCHPRJJJUZATCGD-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.70
Rot. Bonds1

About 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile

8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile (PubChem CID 155340741) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile.

Molecular Properties

Compound Name8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile
PubChem CID155340741
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile
SMILESCN1CCC(O)(C#Cc2cccc(-c3ccc4c(C#N)cnc(N)c4n3)c2)C1=O
InChIInChI=1S/C22H17N5O2/c1-27-10-9-22(29,21(27)28)8-7-14-3-2-4-15(11-14)18-6-5-17-16(12-23)13-25-20(24)19(17)26-18/h2-6,11,13,29H,9-10H2,1H3,(H2,24,25)
InChIKeyCHPRJJJUZATCGD-UHFFFAOYSA-N
XLogP1.70
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile?
The IUPAC name of 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile (CID 155340741) is 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile.
What is the SMILES notation for 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile?
The canonical SMILES for 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile is CN1CCC(O)(C#Cc2cccc(-c3ccc4c(C#N)cnc(N)c4n3)c2)C1=O.
What is the InChIKey of 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile?
The InChIKey is CHPRJJJUZATCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-27-10-9-22(29,21(27)28)8-7-14-3-2-4-15(11-14)18-6-5-17-16(12-23)13-25-20(24)19(17)26-18/h2-6,11,13,29H,9-10H2,1H3,(H2,24,25).
What are the key properties of 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile?
8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-1,7-naphthyridine-5-carbonitrile is sourced from PubChem (CID 155340741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).