(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C19H26N4O2 — CID 97458131

IUPAC(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21
InChIInChI=1S/C19H26N4O2/c1-13(24)23-17(19(25)21-9-14-2-3-14)8-16-11-22(12-18(16)23)10-15-4-6-20-7-5-15/h4-7,14,16-18H,2-3,8-12H2,1H3,(H,21,25)/t16-,17-,18+/m1/s1
InChIKeyOSFIDZOGCVHOBY-KURKYZTESA-N
MW342.44 g/mol
LogP1.03
Rot. Bonds5

About (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97458131) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97458131
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21
InChIInChI=1S/C19H26N4O2/c1-13(24)23-17(19(25)21-9-14-2-3-14)8-16-11-22(12-18(16)23)10-15-4-6-20-7-5-15/h4-7,14,16-18H,2-3,8-12H2,1H3,(H,21,25)/t16-,17-,18+/m1/s1
InChIKeyOSFIDZOGCVHOBY-KURKYZTESA-N
XLogP1.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

(2R,3aS,6aS)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97460252
(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97458034
(2R,3aR,6aR)-1-acetyl-5-benzyl-N-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840819
(2S,3aS,6aS)-1-acetyl-N-methyl-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97413232
(2R,3aR,6aR)-1-acetyl-5-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97458086
(4aR,6S,7aR)-N-(cyclopropylmethyl)-4-(pyridin-4-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-6-carboxamide
CID 97379442
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811
(1S,2S,8R,9R)-6-oxo-11-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171992305
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
1-[(2S,3aR,7aS)-5-(pyridin-4-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 127021664

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97458131) is (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CC(=O)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccncc3)C[C@@H]21.
What is the InChIKey of (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is OSFIDZOGCVHOBY-KURKYZTESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(24)23-17(19(25)21-9-14-2-3-14)8-16-11-22(12-18(16)23)10-15-4-6-20-7-5-15/h4-7,14,16-18H,2-3,8-12H2,1H3,(H,21,25)/t16-,17-,18+/m1/s1.
What are the key properties of (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97458131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).