N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide

C23H23N7O3 — CID 95380268

IUPACN-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1
InChIInChI=1S/C23H23N7O3/c1-14-2-8-18(9-3-14)29-13-15(12-20(29)31)22(32)24-17-6-10-19(11-7-17)30-27-21(26-28-30)23(33)25-16-4-5-16/h2-3,6-11,15-16H,4-5,12-13H2,1H3,(H,24,32)(H,25,33)/t15-/m1/s1
InChIKeyPSQQFXCCUKKWQR-OAHLLOKOSA-N
MW445.48 g/mol
LogP1.85
Rot. Bonds6

About N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide

N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide (PubChem CID 95380268) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide
PubChem CID95380268
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC NameN-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1
InChIInChI=1S/C23H23N7O3/c1-14-2-8-18(9-3-14)29-13-15(12-20(29)31)22(32)24-17-6-10-19(11-7-17)30-27-21(26-28-30)23(33)25-16-4-5-16/h2-3,6-11,15-16H,4-5,12-13H2,1H3,(H,24,32)(H,25,33)/t15-/m1/s1
InChIKeyPSQQFXCCUKKWQR-OAHLLOKOSA-N
XLogP1.85
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide with MolForge

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Related Compounds

1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22831152
1-(4-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56559166
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide (CID 95380268) is N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide?
The InChIKey is PSQQFXCCUKKWQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-14-2-8-18(9-3-14)29-13-15(12-20(29)31)22(32)24-17-6-10-19(11-7-17)30-27-21(26-28-30)23(33)25-16-4-5-16/h2-3,6-11,15-16H,4-5,12-13H2,1H3,(H,24,32)(H,25,33)/t15-/m1/s1.
What are the key properties of N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide?
N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 95380268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).