2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C19H28N4O2 — CID 97387675

IUPAC2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(CC4CC4)C[C@@H]23)cn1
InChIInChI=1S/C19H28N4O2/c1-13-5-21-17(6-20-13)7-22-19(24)4-15-11-25-12-16-9-23(10-18(15)16)8-14-2-3-14/h5-6,14-16,18H,2-4,7-12H2,1H3,(H,22,24)/t15-,16-,18+/m1/s1
InChIKeyOJRCFQOAFUZTEZ-NUJGCVRESA-N
MW344.46 g/mol
LogP1.40
Rot. Bonds6

About 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 97387675) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID97387675
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(CC4CC4)C[C@@H]23)cn1
InChIInChI=1S/C19H28N4O2/c1-13-5-21-17(6-20-13)7-22-19(24)4-15-11-25-12-16-9-23(10-18(15)16)8-14-2-3-14/h5-6,14-16,18H,2-4,7-12H2,1H3,(H,22,24)/t15-,16-,18+/m1/s1
InChIKeyOJRCFQOAFUZTEZ-NUJGCVRESA-N
XLogP1.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide with MolForge

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Related Compounds

(3aR,7aR)-N-[(5-methylpyrazin-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide
CID 97362816
(3aR,7aR)-5-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362817
(3aR,7aR)-5-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362818
2-[(3aR,7S,7aS)-2-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(2-methoxyethyl)acetamide
CID 97379916
2-[(3aR,7S,7aS)-2-cyclobutyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 97387676
(3aR,7aR)-5-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 131688619
(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131689390
(1R*,5S*,6r)-3-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56909307
N-{rel-(3R,4S)-1-[(5-methyl-2-pyrazinyl)methyl]-4-propyl-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72907159
rel-(2R,3aS,7aS)-N-((5-methylpyrazin-2-yl)methyl)octahydrofuro[2,3-c]pyridine-2-carboxamide
CID 97366567
(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366569
rel-(2S,3aS,7aS)-N-((5-methylpyrazin-2-yl)methyl)octahydrofuro[2,3-c]pyridine-2-carboxamide
CID 97366780

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 97387675) is 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(CC4CC4)C[C@@H]23)cn1.
What is the InChIKey of 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is OJRCFQOAFUZTEZ-NUJGCVRESA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-5-21-17(6-20-13)7-22-19(24)4-15-11-25-12-16-9-23(10-18(15)16)8-14-2-3-14/h5-6,14-16,18H,2-4,7-12H2,1H3,(H,22,24)/t15-,16-,18+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7S,7aS)-2-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 97387675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).