N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

C20H31N5O2 — CID 124740967

IUPACN-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
SMILESCC(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CC[C@@H](C(C)(C)C)C1
InChIInChI=1S/C20H31N5O2/c1-14(2)12-25-17(11-21-18(26)16-7-6-10-27-16)22-23-19(25)24-9-8-15(13-24)20(3,4)5/h6-7,10,14-15H,8-9,11-13H2,1-5H3,(H,21,26)/t15-/m1/s1
InChIKeyVQPPAEMNYIOGDI-OAHLLOKOSA-N
MW373.50 g/mol
LogP3.33
Rot. Bonds6

About N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide (PubChem CID 124740967) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
PubChem CID124740967
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
SMILESCC(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CC[C@@H](C(C)(C)C)C1
InChIInChI=1S/C20H31N5O2/c1-14(2)12-25-17(11-21-18(26)16-7-6-10-27-16)22-23-19(25)24-9-8-15(13-24)20(3,4)5/h6-7,10,14-15H,8-9,11-13H2,1-5H3,(H,21,26)/t15-/m1/s1
InChIKeyVQPPAEMNYIOGDI-OAHLLOKOSA-N
XLogP3.33
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

methyl 3-[(furan-2-carbonylamino)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylate
CID 136557143
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 4537971
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
2-[[5-[(furan-2-carbonylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 71945395
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973977
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
ethyl 6-tert-butyl-2-[[2-[[4-butyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23795822
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
CID 82163363
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide (CID 124740967) is N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide is CC(C)Cn1c(CNC(=O)c2ccco2)nnc1N1CC[C@@H](C(C)(C)C)C1.
What is the InChIKey of N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide?
The InChIKey is VQPPAEMNYIOGDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-14(2)12-25-17(11-21-18(26)16-7-6-10-27-16)22-23-19(25)24-9-8-15(13-24)20(3,4)5/h6-7,10,14-15H,8-9,11-13H2,1-5H3,(H,21,26)/t15-/m1/s1.
What are the key properties of N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide?
N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3S)-3-tert-butylpyrrolidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124740967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).