(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide

C15H20F2N4O2 — CID 136582536

IUPAC(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESCN1CC[C@@H]2CN(C(=O)Nc3cccnc3OCC(F)F)C[C@@H]21
InChIInChI=1S/C15H20F2N4O2/c1-20-6-4-10-7-21(8-12(10)20)15(22)19-11-3-2-5-18-14(11)23-9-13(16)17/h2-3,5,10,12-13H,4,6-9H2,1H3,(H,19,22)/t10-,12+/m1/s1
InChIKeyBYUHWVXTLHPNDA-PWSUYJOCSA-N
MW326.35 g/mol
LogP1.89
Rot. Bonds4

About (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide

(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide (PubChem CID 136582536) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
PubChem CID136582536
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
SMILESCN1CC[C@@H]2CN(C(=O)Nc3cccnc3OCC(F)F)C[C@@H]21
InChIInChI=1S/C15H20F2N4O2/c1-20-6-4-10-7-21(8-12(10)20)15(22)19-11-3-2-5-18-14(11)23-9-13(16)17/h2-3,5,10,12-13H,4,6-9H2,1H3,(H,19,22)/t10-,12+/m1/s1
InChIKeyBYUHWVXTLHPNDA-PWSUYJOCSA-N
XLogP1.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide with MolForge

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Related Compounds

N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 126767619
1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127624175
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(3aR,6aR)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 128618290
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
2-(2,2-difluoroethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
CID 154779558
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 118793687
(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783484
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide (CID 136582536) is (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide is CN1CC[C@@H]2CN(C(=O)Nc3cccnc3OCC(F)F)C[C@@H]21.
What is the InChIKey of (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide?
The InChIKey is BYUHWVXTLHPNDA-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-20-6-4-10-7-21(8-12(10)20)15(22)19-11-3-2-5-18-14(11)23-9-13(16)17/h2-3,5,10,12-13H,4,6-9H2,1H3,(H,19,22)/t10-,12+/m1/s1.
What are the key properties of (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide?
(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide is sourced from PubChem (CID 136582536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).