(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

C19H28N4O2 — CID 97461090

IUPAC(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CCN3CC3CCCC3)O2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-9-21-15(10-20-13)11-22-19(24)18-8-16-17(25-18)6-7-23(16)12-14-4-2-3-5-14/h9-10,14,16-18H,2-8,11-12H2,1H3,(H,22,24)/t16-,17-,18-/m0/s1
InChIKeyLRMYSTCHOBKCBP-BZSNNMDCSA-N
MW344.46 g/mol
LogP1.82
Rot. Bonds5

About (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 97461090) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID97461090
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CCN3CC3CCCC3)O2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-9-21-15(10-20-13)11-22-19(24)18-8-16-17(25-18)6-7-23(16)12-14-4-2-3-5-14/h9-10,14,16-18H,2-8,11-12H2,1H3,(H,22,24)/t16-,17-,18-/m0/s1
InChIKeyLRMYSTCHOBKCBP-BZSNNMDCSA-N
XLogP1.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide with MolForge

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Related Compounds

(2S,3aR,6aR)-4-(cyclopentylmethyl)-N-(pyrimidin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124781146
(2S,3aS,7aS)-6-acetyl-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 155877203
5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688468
(3aR,5S,7aR)-1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380090
(2S,3aR,6aR)-N-(oxan-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97378341
2-[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 133143017
5-(cyclopentylmethyl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 133144934
(2S,3aR,6aR)-4-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97378354
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
(2S,3aR,6aR)-4-[(5-methylfuran-2-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155829090
(2R,3aS,6aS)-4-[(5-methylfuran-2-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171685842
N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893002

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (CID 97461090) is (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is Cc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CCN3CC3CCCC3)O2)cn1.
What is the InChIKey of (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is LRMYSTCHOBKCBP-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-9-21-15(10-20-13)11-22-19(24)18-8-16-17(25-18)6-7-23(16)12-14-4-2-3-5-14/h9-10,14,16-18H,2-8,11-12H2,1H3,(H,22,24)/t16-,17-,18-/m0/s1.
What are the key properties of (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
(2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-4-(cyclopentylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97461090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).