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

C18H26N4O — CID 97458034

IUPAC(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccccn3)C[C@@H]21
InChIInChI=1S/C18H26N4O/c1-21-16(18(23)20-9-13-5-6-13)8-14-10-22(12-17(14)21)11-15-4-2-3-7-19-15/h2-4,7,13-14,16-17H,5-6,8-12H2,1H3,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyUUWIXHOIJNVBEJ-OIISXLGYSA-N
MW314.43 g/mol
LogP1.11
Rot. Bonds5

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

(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97458034) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97458034
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccccn3)C[C@@H]21
InChIInChI=1S/C18H26N4O/c1-21-16(18(23)20-9-13-5-6-13)8-14-10-22(12-17(14)21)11-15-4-2-3-7-19-15/h2-4,7,13-14,16-17H,5-6,8-12H2,1H3,(H,20,23)/t14-,16-,17+/m1/s1
InChIKeyUUWIXHOIJNVBEJ-OIISXLGYSA-N
XLogP1.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(1S,5S,6R)-N-(cyclopropylmethyl)-3-(pyridin-2-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98779831
(2R,3aS,6aS)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127023734
(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
(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 131683724
(2S,3aR,6aR)-N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 98777397
2-[(3aR,7S,7aS)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97379887
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
2-[(2R,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(oxan-4-ylmethyl)acetamide
CID 97482739
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (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) is (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccccn3)C[C@@H]21.
What is the InChIKey of (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is UUWIXHOIJNVBEJ-OIISXLGYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21-16(18(23)20-9-13-5-6-13)8-14-10-22(12-17(14)21)11-15-4-2-3-7-19-15/h2-4,7,13-14,16-17H,5-6,8-12H2,1H3,(H,20,23)/t14-,16-,17+/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97458034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).