(1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide

C27H30N4O3 — CID 167805545

IUPAC(1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCC(C)(CNC(=O)c1ccc(-c2ccccn2)o1)NC(=O)[C@]12C[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C27H30N4O3/c1-26(2,17-29-24(32)23-12-11-22(34-23)21-10-6-7-13-28-21)30-25(33)27-14-20(27)16-31(18-27)15-19-8-4-3-5-9-19/h3-13,20H,14-18H2,1-2H3,(H,29,32)(H,30,33)/t20-,27-/m0/s1
InChIKeyRHYXRRYXIBMYTM-DCFHFQCYSA-N
MW458.56 g/mol
LogP3.49
Rot. Bonds8

About (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide

(1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 167805545) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID167805545
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCC(C)(CNC(=O)c1ccc(-c2ccccn2)o1)NC(=O)[C@]12C[C@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C27H30N4O3/c1-26(2,17-29-24(32)23-12-11-22(34-23)21-10-6-7-13-28-21)30-25(33)27-14-20(27)16-31(18-27)15-19-8-4-3-5-9-19/h3-13,20H,14-18H2,1-2H3,(H,29,32)(H,30,33)/t20-,27-/m0/s1
InChIKeyRHYXRRYXIBMYTM-DCFHFQCYSA-N
XLogP3.49
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide with MolForge

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Related Compounds

(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
tert-butyl 2,5-dibenzyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylate
CID 11200194
(3aR,6aR)-N-(pyridin-2-ylmethyl)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 127022519
(3aR,5S,6aR)-2-benzyl-5-(cyclohexylcarbamoylamino)-N-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 154579735
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579
methyl (3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 172908460
(3aS,6aS)-5-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133113433
(4aR,7aR)-6-benzyl-N-methyl-1-pyrimidin-2-yl-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-4a-carboxamide
CID 125231546
(3aR,5S,6aR)-2-benzyl-5-[(6-methoxypyridine-3-carbonyl)amino]-N-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 154579743
N-[(3aR,5S,6aR)-2-benzyl-3a-(methylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1,3-thiazole-4-carboxamide
CID 155881482
tert-butyl (3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 134817584
2-benzyl-5-[(2-ethylphenyl)sulfonylamino]-N-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 171150384

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 167805545) is (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide is CC(C)(CNC(=O)c1ccc(-c2ccccn2)o1)NC(=O)[C@]12C[C@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is RHYXRRYXIBMYTM-DCFHFQCYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-26(2,17-29-24(32)23-12-11-22(34-23)21-10-6-7-13-28-21)30-25(33)27-14-20(27)16-31(18-27)15-19-8-4-3-5-9-19/h3-13,20H,14-18H2,1-2H3,(H,29,32)(H,30,33)/t20-,27-/m0/s1.
What are the key properties of (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide?
(1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-benzyl-N-[2-methyl-1-[(5-pyridin-2-ylfuran-2-carbonyl)amino]propan-2-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 167805545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).