3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide

C19H25N5O2 — CID 167874197

IUPAC3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide
SMILESCN1CCCC1c1cn(-c2cccc(C(=O)NCC3CCOC3)c2)nn1
InChIInChI=1S/C19H25N5O2/c1-23-8-3-6-18(23)17-12-24(22-21-17)16-5-2-4-15(10-16)19(25)20-11-14-7-9-26-13-14/h2,4-5,10,12,14,18H,3,6-9,11,13H2,1H3,(H,20,25)
InChIKeyBYYFMPSHJZLSML-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.80
Rot. Bonds5

About 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide

3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 167874197) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide
PubChem CID167874197
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide
SMILESCN1CCCC1c1cn(-c2cccc(C(=O)NCC3CCOC3)c2)nn1
InChIInChI=1S/C19H25N5O2/c1-23-8-3-6-18(23)17-12-24(22-21-17)16-5-2-4-15(10-16)19(25)20-11-14-7-9-26-13-14/h2,4-5,10,12,14,18H,3,6-9,11,13H2,1H3,(H,20,25)
InChIKeyBYYFMPSHJZLSML-UHFFFAOYSA-N
XLogP1.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167819480
N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167968311
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
CID 74241225
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide
CID 163340405
4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
1-(2-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-4-carboxamide
CID 146087948
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(oxan-4-ylmethyl)benzamide
CID 118146845
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide (CID 167874197) is 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide is CN1CCCC1c1cn(-c2cccc(C(=O)NCC3CCOC3)c2)nn1.
What is the InChIKey of 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is BYYFMPSHJZLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-8-3-6-18(23)17-12-24(22-21-17)16-5-2-4-15(10-16)19(25)20-11-14-7-9-26-13-14/h2,4-5,10,12,14,18H,3,6-9,11,13H2,1H3,(H,20,25).
What are the key properties of 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide?
3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 167874197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).