N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide

C16H24N4O3 — CID 97461365

IUPACN-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)N[C@H]1CN([C@H]2CCOC2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C16H24N4O3/c1-19-6-5-17-15(19)16(21)18-12-9-20(11-4-8-22-10-11)13-3-2-7-23-14(12)13/h5-6,11-14H,2-4,7-10H2,1H3,(H,18,21)/t11-,12-,13+,14+/m0/s1
InChIKeyUHFGZSZOUFWVAU-IGQOVBAYSA-N
MW320.39 g/mol
LogP0.17
Rot. Bonds3

About N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide

N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide (PubChem CID 97461365) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
PubChem CID97461365
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)N[C@H]1CN([C@H]2CCOC2)[C@@H]2CCCO[C@H]12
InChIInChI=1S/C16H24N4O3/c1-19-6-5-17-15(19)16(21)18-12-9-20(11-4-8-22-10-11)13-3-2-7-23-14(12)13/h5-6,11-14H,2-4,7-10H2,1H3,(H,18,21)/t11-,12-,13+,14+/m0/s1
InChIKeyUHFGZSZOUFWVAU-IGQOVBAYSA-N
XLogP0.17
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide with MolForge

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Related Compounds

N-[(3R,3aR,7aR)-1-[(3R)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 97460444
N-[(3R,3aR,7aR)-1-(oxolan-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 133139903
N-[(3S,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 97379878
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
CID 154911071
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3R,3aS,7aS)-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,2-oxazole-5-carboxamide
CID 97461372
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]imidazole-2-carboxamide
CID 131654713
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazole-2-carboxamide
CID 155493966
N-[(3R,3aS,7aS)-1-acetyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 97461397
N-[(4aS,8R,8aS)-6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
CID 97364564
N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155844774

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide (CID 97461365) is N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)N[C@H]1CN([C@H]2CCOC2)[C@@H]2CCCO[C@H]12.
What is the InChIKey of N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is UHFGZSZOUFWVAU-IGQOVBAYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-6-5-17-15(19)16(21)18-12-9-20(11-4-8-22-10-11)13-3-2-7-23-14(12)13/h5-6,11-14H,2-4,7-10H2,1H3,(H,18,21)/t11-,12-,13+,14+/m0/s1.
What are the key properties of N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide?
N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,7aR)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 97461365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).