N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide

C24H22ClN5O4 — CID 11363623

IUPACN'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C24H22ClN5O4/c25-16-9-12-20(26-14-16)29-24(34)23(33)28-19-5-3-4-18(19)27-22(32)15-7-10-17(11-8-15)30-13-2-1-6-21(30)31/h1-2,6-14,18-19H,3-5H2,(H,27,32)(H,28,33)(H,26,29,34)/t18-,19+/m0/s1
InChIKeyLKJFWNGTBPRWIS-RBUKOAKNSA-N
MW479.92 g/mol
LogP2.29
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide (PubChem CID 11363623) has the molecular formula C24H22ClN5O4 and a molecular weight of 479.92 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
PubChem CID11363623
Molecular FormulaC24H22ClN5O4
Molecular Weight479.92 g/mol
Exact Mass479.14
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C24H22ClN5O4/c25-16-9-12-20(26-14-16)29-24(34)23(33)28-19-5-3-4-18(19)27-22(32)15-7-10-17(11-8-15)30-13-2-1-6-21(30)31/h1-2,6-14,18-19H,3-5H2,(H,27,32)(H,28,33)(H,26,29,34)/t18-,19+/m0/s1
InChIKeyLKJFWNGTBPRWIS-RBUKOAKNSA-N
XLogP2.29
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide (CID 11363623) is N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide is O=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide?
The InChIKey is LKJFWNGTBPRWIS-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H22ClN5O4/c25-16-9-12-20(26-14-16)29-24(34)23(33)28-19-5-3-4-18(19)27-22(32)15-7-10-17(11-8-15)30-13-2-1-6-21(30)31/h1-2,6-14,18-19H,3-5H2,(H,27,32)(H,28,33)(H,26,29,34)/t18-,19+/m0/s1.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide has a molecular weight of 479.92 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide is sourced from PubChem (CID 11363623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).