N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide

C21H26N4O3 — CID 131672954

IUPACN-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide
SMILESO=C(NC1CCCCC1)c1cn2c(nc1=O)C1CN(Cc3ccoc3)CC1C2
InChIInChI=1S/C21H26N4O3/c26-20(22-16-4-2-1-3-5-16)18-12-25-10-15-9-24(8-14-6-7-28-13-14)11-17(15)19(25)23-21(18)27/h6-7,12-13,15-17H,1-5,8-11H2,(H,22,26)
InChIKeyIBRCLWWMXOUTPW-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.13
Rot. Bonds4

About N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide

N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide (PubChem CID 131672954) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide
PubChem CID131672954
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide
SMILESO=C(NC1CCCCC1)c1cn2c(nc1=O)C1CN(Cc3ccoc3)CC1C2
InChIInChI=1S/C21H26N4O3/c26-20(22-16-4-2-1-3-5-16)18-12-25-10-15-9-24(8-14-6-7-28-13-14)11-17(15)19(25)23-21(18)27/h6-7,12-13,15-17H,1-5,8-11H2,(H,22,26)
InChIKeyIBRCLWWMXOUTPW-UHFFFAOYSA-N
XLogP2.13
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide;2,2,2-trifluoroacetic acid
CID 155849527
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656
(3aS,6aR)-2-(furan-3-ylmethyl)-5-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124813138
7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562649
N-[(3aR,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138022360
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
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CID 9041373
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
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CID 59830624

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide?
The IUPAC name of N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide (CID 131672954) is N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide is O=C(NC1CCCCC1)c1cn2c(nc1=O)C1CN(Cc3ccoc3)CC1C2.
What is the InChIKey of N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide?
The InChIKey is IBRCLWWMXOUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(22-16-4-2-1-3-5-16)18-12-25-10-15-9-24(8-14-6-7-28-13-14)11-17(15)19(25)23-21(18)27/h6-7,12-13,15-17H,1-5,8-11H2,(H,22,26).
What are the key properties of N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide?
N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(furan-3-ylmethyl)-11-oxo-4,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),9-diene-10-carboxamide is sourced from PubChem (CID 131672954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).