N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide

C16H22N6O3 — CID 119149847

IUPACN-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C2CCCN2)c1
InChIInChI=1S/C16H22N6O3/c1-21(16(23)14-5-4-6-17-14)10-15-18-19-20-22(15)11-7-12(24-2)9-13(8-11)25-3/h7-9,14,17H,4-6,10H2,1-3H3
InChIKeyPDZXUUBAYQGANU-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.39
Rot. Bonds6

About N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide

N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 119149847) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID119149847
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C2CCCN2)c1
InChIInChI=1S/C16H22N6O3/c1-21(16(23)14-5-4-6-17-14)10-15-18-19-20-22(15)11-7-12(24-2)9-13(8-11)25-3/h7-9,14,17H,4-6,10H2,1-3H3
InChIKeyPDZXUUBAYQGANU-UHFFFAOYSA-N
XLogP0.39
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60962824
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide (CID 119149847) is N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide is COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C2CCCN2)c1.
What is the InChIKey of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PDZXUUBAYQGANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-21(16(23)14-5-4-6-17-14)10-15-18-19-20-22(15)11-7-12(24-2)9-13(8-11)25-3/h7-9,14,17H,4-6,10H2,1-3H3.
What are the key properties of N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide?
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119149847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).