N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C19H20N6O2 — CID 71850076

IUPACN-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnn(CCNC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)n1
InChIInChI=1S/C19H20N6O2/c1-13-21-23-25(22-13)10-9-20-19(27)15-11-18(26)24(12-15)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H,20,27)
InChIKeyHOQMQRWDAMTVTM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 71850076) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID71850076
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnn(CCNC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)n1
InChIInChI=1S/C19H20N6O2/c1-13-21-23-25(22-13)10-9-20-19(27)15-11-18(26)24(12-15)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H,20,27)
InChIKeyHOQMQRWDAMTVTM-UHFFFAOYSA-N
XLogP1.30
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 17392000
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46545515
(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 40847514
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
N-[(Z)-3-(2-methylphenyl)hept-3-enyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 126698951
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 71850076) is N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is Cc1nnn(CCNC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)n1.
What is the InChIKey of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOQMQRWDAMTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-21-23-25(22-13)10-9-20-19(27)15-11-18(26)24(12-15)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,15H,9-12H2,1H3,(H,20,27).
What are the key properties of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71850076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).