N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide

C17H20N6O2 — CID 97387608

IUPACN-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)nc1
InChIInChI=1S/C17H20N6O2/c1-11-7-20-17(21-8-11)23-10-13(15-14(23)3-2-6-25-15)22-16(24)12-9-18-4-5-19-12/h4-5,7-9,13-15H,2-3,6,10H2,1H3,(H,22,24)/t13-,14+,15+/m1/s1
InChIKeyITGOYVBIXBPYGG-ILXRZTDVSA-N
MW340.39 g/mol
LogP0.74
Rot. Bonds3

About N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide

N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide (PubChem CID 97387608) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
PubChem CID97387608
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)nc1
InChIInChI=1S/C17H20N6O2/c1-11-7-20-17(21-8-11)23-10-13(15-14(23)3-2-6-25-15)22-16(24)12-9-18-4-5-19-12/h4-5,7-9,13-15H,2-3,6,10H2,1H3,(H,22,24)/t13-,14+,15+/m1/s1
InChIKeyITGOYVBIXBPYGG-ILXRZTDVSA-N
XLogP0.74
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

US10906888, Example 128
CID 134177596
US10906888, Example 129
CID 139580392
US10906888, Example 113
CID 139580417
US10906888, Example 120
CID 141746021
N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 97460464
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
CID 97950014
US10906888, Example 204
CID 134177784
US10906888, Example 111
CID 139580313
US10906888, Example 124
CID 139580340
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]pyrimidine-5-carboxamide
CID 171558501
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]pyrimidine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171558854
US10906888, Example 115
CID 139580361

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide (CID 97387608) is N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide is Cc1cnc(N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@@H]32)nc1.
What is the InChIKey of N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The InChIKey is ITGOYVBIXBPYGG-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-7-20-17(21-8-11)23-10-13(15-14(23)3-2-6-25-15)22-16(24)12-9-18-4-5-19-12/h4-5,7-9,13-15H,2-3,6,10H2,1H3,(H,22,24)/t13-,14+,15+/m1/s1.
What are the key properties of N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aS,7aS)-1-(5-methylpyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 97387608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).