6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile

C14H15N5O2 — CID 131949635

IUPAC6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile
SMILESCN1CC(=O)N2C[C@H](Nc3ccc(C#N)cn3)C[C@H]2C1=O
InChIInChI=1S/C14H15N5O2/c1-18-8-13(20)19-7-10(4-11(19)14(18)21)17-12-3-2-9(5-15)6-16-12/h2-3,6,10-11H,4,7-8H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyINHWUBJQZRIRHP-MNOVXSKESA-N
MW285.31 g/mol
LogP-0.19
Rot. Bonds2

About 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile

6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile (PubChem CID 131949635) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile
PubChem CID131949635
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile
SMILESCN1CC(=O)N2C[C@H](Nc3ccc(C#N)cn3)C[C@H]2C1=O
InChIInChI=1S/C14H15N5O2/c1-18-8-13(20)19-7-10(4-11(19)14(18)21)17-12-3-2-9(5-15)6-16-12/h2-3,6,10-11H,4,7-8H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyINHWUBJQZRIRHP-MNOVXSKESA-N
XLogP-0.19
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
CID 170765192
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
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CID 136560083
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
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6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893

Frequently Asked Questions

What is the IUPAC name of 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile (CID 131949635) is 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile is CN1CC(=O)N2C[C@H](Nc3ccc(C#N)cn3)C[C@H]2C1=O.
What is the InChIKey of 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile?
The InChIKey is INHWUBJQZRIRHP-MNOVXSKESA-N. The full InChI is InChI=1S/C14H15N5O2/c1-18-8-13(20)19-7-10(4-11(19)14(18)21)17-12-3-2-9(5-15)6-16-12/h2-3,6,10-11H,4,7-8H2,1H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile?
6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 131949635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).