(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide

C15H21N5O2 — CID 100665143

IUPAC(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n(C)n1
InChIInChI=1S/C15H21N5O2/c1-11-16-14(19(2)18-11)17-15(21)20-9-5-3-4-7-12(20)13-8-6-10-22-13/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,16,17,18,21)/t12-/m1/s1
InChIKeyGZXZZPMNRDRTNX-GFCCVEGCSA-N
MW303.37 g/mol
LogP2.87
Rot. Bonds2

About (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide

(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide (PubChem CID 100665143) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
PubChem CID100665143
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n(C)n1
InChIInChI=1S/C15H21N5O2/c1-11-16-14(19(2)18-11)17-15(21)20-9-5-3-4-7-12(20)13-8-6-10-22-13/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,16,17,18,21)/t12-/m1/s1
InChIKeyGZXZZPMNRDRTNX-GFCCVEGCSA-N
XLogP2.87
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-2-(furan-2-yl)azepane-1-carboxamide
CID 167944450
(2R)-2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 125161346
2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 118767546
2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
CID 71868116
(2S)-2-(furan-2-yl)-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]azepane-1-carboxamide
CID 96563066
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
1-[2-(furan-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131897278
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
[(2R)-2-(furan-2-yl)azepan-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 125165574
[2-(furan-2-yl)azepan-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 70768765
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide (CID 100665143) is (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide is Cc1nc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n(C)n1.
What is the InChIKey of (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide?
The InChIKey is GZXZZPMNRDRTNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-16-14(19(2)18-11)17-15(21)20-9-5-3-4-7-12(20)13-8-6-10-22-13/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,16,17,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide?
(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 100665143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).