N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide

C23H25N5O4 — CID 146069668

IUPACN-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](NC(=O)c2ccncc2)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C23H25N5O4/c1-31-12-11-25-21(29)17-13-18(19(14-17)26-22(30)16-7-9-24-10-8-16)23-27-20(28-32-23)15-5-3-2-4-6-15/h2-10,17-19H,11-14H2,1H3,(H,25,29)(H,26,30)/t17-,18-,19+/m1/s1
InChIKeySYRDOVKQVGKPBT-QRVBRYPASA-N
MW435.48 g/mol
LogP2.19
Rot. Bonds8

About N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide

N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 146069668) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide
PubChem CID146069668
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](NC(=O)c2ccncc2)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C23H25N5O4/c1-31-12-11-25-21(29)17-13-18(19(14-17)26-22(30)16-7-9-24-10-8-16)23-27-20(28-32-23)15-5-3-2-4-6-15/h2-10,17-19H,11-14H2,1H3,(H,25,29)(H,26,30)/t17-,18-,19+/m1/s1
InChIKeySYRDOVKQVGKPBT-QRVBRYPASA-N
XLogP2.19
TPSA119.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyrazole-4-carboxamide
CID 146069659
(1R,3R,4S)-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propanoylamino)cyclopentane-1-carboxamide
CID 154578648
1-methyl-N-[(1S,2R,4R)-4-(methylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]imidazole-2-carboxamide
CID 154578662
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(3-phenylpropanoylamino)cyclopentane-1-carboxamide
CID 171150315
6-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 146069732
(1R,3S,4R)-3-[(2-cyclohexylacetyl)amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578633
(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578594
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150304
(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 154578640
N-(2-methoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 33083256
1-methyl-N-[(1S,2R,4R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(propan-2-ylcarbamoyl)cyclopentyl]imidazole-4-carboxamide
CID 146069700
3-[(2-phenoxyacetyl)amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
CID 171150289

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide (CID 146069668) is N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide is COCCNC(=O)[C@H]1C[C@H](NC(=O)c2ccncc2)[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is SYRDOVKQVGKPBT-QRVBRYPASA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-12-11-25-21(29)17-13-18(19(14-17)26-22(30)16-7-9-24-10-8-16)23-27-20(28-32-23)15-5-3-2-4-6-15/h2-10,17-19H,11-14H2,1H3,(H,25,29)(H,26,30)/t17-,18-,19+/m1/s1.
What are the key properties of N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide?
N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-4-(2-methoxyethylcarbamoyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 146069668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).