N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide

C18H23N5O3 — CID 163339502

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1nncn1C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H23N5O3/c1-12(2)17-21-19-11-23(17)14-5-6-22(10-14)18(24)20-13-3-4-15-16(9-13)26-8-7-25-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyWPYYCTNWZSVJPS-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.65
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 163339502) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID163339502
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1nncn1C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H23N5O3/c1-12(2)17-21-19-11-23(17)14-5-6-22(10-14)18(24)20-13-3-4-15-16(9-13)26-8-7-25-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,24)
InChIKeyWPYYCTNWZSVJPS-UHFFFAOYSA-N
XLogP2.65
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 163339504
N-(1,3-benzodioxol-5-yl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494305
(3R)-3-acetamido-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 94820143
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60607932
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 115578699
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105757
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
(3R,4R)-N-(1,3-benzodioxol-5-yl)-3-fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 131923741
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942842
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide (CID 163339502) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide is CC(C)c1nncn1C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is WPYYCTNWZSVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(2)17-21-19-11-23(17)14-5-6-22(10-14)18(24)20-13-3-4-15-16(9-13)26-8-7-25-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 163339502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).