(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C15H19N7O2S — CID 97141011

IUPAC(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCn1nnnc1SCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C15H19N7O2S/c1-21-15(18-19-20-21)25-7-6-17-14(24)11-8-13(23)22(9-11)10-12-4-2-3-5-16-12/h2-5,11H,6-10H2,1H3,(H,17,24)/t11-/m0/s1
InChIKeyMWHJUBOYORRDHD-NSHDSACASA-N
MW361.43 g/mol
LogP-0.14
Rot. Bonds7

About (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97141011) has the molecular formula C15H19N7O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97141011
Molecular FormulaC15H19N7O2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCn1nnnc1SCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C15H19N7O2S/c1-21-15(18-19-20-21)25-7-6-17-14(24)11-8-13(23)22(9-11)10-12-4-2-3-5-16-12/h2-5,11H,6-10H2,1H3,(H,17,24)/t11-/m0/s1
InChIKeyMWHJUBOYORRDHD-NSHDSACASA-N
XLogP-0.14
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97279039
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97207934
(3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97269177
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72910387
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72875578
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183926
(3S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94149499
(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97155545
N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55641792

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 97141011) is (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cn1nnnc1SCCNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is MWHJUBOYORRDHD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N7O2S/c1-21-15(18-19-20-21)25-7-6-17-14(24)11-8-13(23)22(9-11)10-12-4-2-3-5-16-12/h2-5,11H,6-10H2,1H3,(H,17,24)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97141011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).