2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide

C21H24ClN5O3 — CID 52504403

About 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide

2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 52504403) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 52504403
• Molecular Formula: C21H24ClN5O3
• Molecular Weight: 429.91 g/mol
• Exact Mass: 429.16
• IUPAC Name: 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
• SMILES: C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1
• InChI: InChI=1S/C21H24ClN5O3/c1-14(13-27-10-4-6-19(27)28)25-21(30)26-15-7-8-17(18(22)11-15)20(29)24-12-16-5-2-3-9-23-16/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,24,29)(H2,25,26,30)/t14-/m0/s1
• InChIKey: ULKSDRODGYXFLV-AWEZNQCLSA-N
• XLogP: 2.80
• TPSA: 103.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.91
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 52504403) is 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide is C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1.

What is the InChIKey of 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is ULKSDRODGYXFLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-14(13-27-10-4-6-19(27)28)25-21(30)26-15-7-8-17(18(22)11-15)20(29)24-12-16-5-2-3-9-23-16/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,24,29)(H2,25,26,30)/t14-/m0/s1.

What are the key properties of 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide?

2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 429.91 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 52504403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).