N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C25H22N6O2 — CID 24590750

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C25H22N6O2/c32-23-14-18(15-30(23)22-10-4-6-16-5-1-2-9-21(16)22)25(33)26-19-8-3-7-17(13-19)24-27-28-29-31(24)20-11-12-20/h1-10,13,18,20H,11-12,14-15H2,(H,26,33)
InChIKeyDJFNJAVPAPTLBN-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.82
Rot. Bonds5

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 24590750) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID24590750
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C25H22N6O2/c32-23-14-18(15-30(23)22-10-4-6-16-5-1-2-9-21(16)22)25(33)26-19-8-3-7-17(13-19)24-27-28-29-31(24)20-11-12-20/h1-10,13,18,20H,11-12,14-15H2,(H,26,33)
InChIKeyDJFNJAVPAPTLBN-UHFFFAOYSA-N
XLogP3.82
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 24590720
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
1-(2-butan-2-ylphenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55497364
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-[3-(imidazol-1-ylmethyl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46604915
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 24590750) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DJFNJAVPAPTLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c32-23-14-18(15-30(23)22-10-4-6-16-5-1-2-9-21(16)22)25(33)26-19-8-3-7-17(13-19)24-27-28-29-31(24)20-11-12-20/h1-10,13,18,20H,11-12,14-15H2,(H,26,33).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24590750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).