(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C16H20N6O3 — CID 95295849

IUPAC(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1=O
InChIInChI=1S/C16H20N6O3/c1-4-21-9-11(7-15(21)23)16(24)17-12-5-6-14(25-3)13(8-12)22-10(2)18-19-20-22/h5-6,8,11H,4,7,9H2,1-3H3,(H,17,24)/t11-/m0/s1
InChIKeyWZVBZVBFMHWKKN-NSHDSACASA-N
MW344.38 g/mol
LogP0.79
Rot. Bonds5

About (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95295849) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95295849
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1=O
InChIInChI=1S/C16H20N6O3/c1-4-21-9-11(7-15(21)23)16(24)17-12-5-6-14(25-3)13(8-12)22-10(2)18-19-20-22/h5-6,8,11H,4,7,9H2,1-3H3,(H,17,24)/t11-/m0/s1
InChIKeyWZVBZVBFMHWKKN-NSHDSACASA-N
XLogP0.79
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766638
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55676971
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766640
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119313704
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate
CID 95173124
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185132

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 95295849) is (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1=O.
What is the InChIKey of (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZVBZVBFMHWKKN-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N6O3/c1-4-21-9-11(7-15(21)23)16(24)17-12-5-6-14(25-3)13(8-12)22-10(2)18-19-20-22/h5-6,8,11H,4,7,9H2,1-3H3,(H,17,24)/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95295849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).