(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide

C25H25N3O5 — CID 170549537

IUPAC(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide
SMILESO=Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C25H25N3O5/c29-15-17-5-9-19(10-6-17)24(32)28-14-2-4-22(28)25(33)27-13-1-3-21(27)23(31)26-20-11-7-18(16-30)8-12-20/h5-12,15-16,21-22H,1-4,13-14H2,(H,26,31)/t21-,22-/m1/s1
InChIKeyBMPAESCSDBHGIM-FGZHOGPDSA-N
MW447.49 g/mol
LogP2.55
Rot. Bonds6

About (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide

(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide (PubChem CID 170549537) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide
PubChem CID170549537
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide
SMILESO=Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C25H25N3O5/c29-15-17-5-9-19(10-6-17)24(32)28-14-2-4-22(28)25(33)27-13-1-3-21(27)23(31)26-20-11-7-18(16-30)8-12-20/h5-12,15-16,21-22H,1-4,13-14H2,(H,26,31)/t21-,22-/m1/s1
InChIKeyBMPAESCSDBHGIM-FGZHOGPDSA-N
XLogP2.55
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555
(2S)-1-(1H-pyrazole-4-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768660
1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 60612291
(2S)-1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768765
1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980480
(2S)-1-(cyclopropene-1-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropene-1-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 66824715
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
4-[[(2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 90349211
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide (CID 170549537) is (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide is O=Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is BMPAESCSDBHGIM-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H25N3O5/c29-15-17-5-9-19(10-6-17)24(32)28-14-2-4-22(28)25(33)27-13-1-3-21(27)23(31)26-20-11-7-18(16-30)8-12-20/h5-12,15-16,21-22H,1-4,13-14H2,(H,26,31)/t21-,22-/m1/s1.
What are the key properties of (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 170549537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).