5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide

C27H35N5O4 — CID 71019463

IUPAC5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)CC(c3ccc(NC(=O)c4ncc(N)[nH]4)c(C4=CCCCC4)n3)C[C@]2(C)O1
InChIInChI=1S/C27H35N5O4/c1-25(2)34-21-22(35-25)27(4)13-16(12-26(21,3)36-27)17-10-11-18(20(30-17)15-8-6-5-7-9-15)31-24(33)23-29-14-19(28)32-23/h8,10-11,14,16,21-22H,5-7,9,12-13,28H2,1-4H3,(H,29,32)(H,31,33)/t16?,21-,22+,26+,27-
InChIKeyUROTWPVMCQUKPU-VTRZGGHSSA-N
MW493.61 g/mol
LogP4.54
Rot. Bonds4

About 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide

5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 71019463) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
PubChem CID71019463
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)CC(c3ccc(NC(=O)c4ncc(N)[nH]4)c(C4=CCCCC4)n3)C[C@]2(C)O1
InChIInChI=1S/C27H35N5O4/c1-25(2)34-21-22(35-25)27(4)13-16(12-26(21,3)36-27)17-10-11-18(20(30-17)15-8-6-5-7-9-15)31-24(33)23-29-14-19(28)32-23/h8,10-11,14,16,21-22H,5-7,9,12-13,28H2,1-4H3,(H,29,32)(H,31,33)/t16?,21-,22+,26+,27-
InChIKeyUROTWPVMCQUKPU-VTRZGGHSSA-N
XLogP4.54
TPSA124.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 71019463) is 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide is CC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)CC(c3ccc(NC(=O)c4ncc(N)[nH]4)c(C4=CCCCC4)n3)C[C@]2(C)O1.
What is the InChIKey of 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
The InChIKey is UROTWPVMCQUKPU-VTRZGGHSSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-25(2)34-21-22(35-25)27(4)13-16(12-26(21,3)36-27)17-10-11-18(20(30-17)15-8-6-5-7-9-15)31-24(33)23-29-14-19(28)32-23/h8,10-11,14,16,21-22H,5-7,9,12-13,28H2,1-4H3,(H,29,32)(H,31,33)/t16?,21-,22+,26+,27-.
What are the key properties of 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide?
5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(cyclohexen-1-yl)-6-[(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecan-9-yl]-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71019463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).