N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide

C26H25N5O2 — CID 139333148

IUPACN-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide
SMILES[H]/N=C/C1(C2CC2)CCN(c2ccnc(NC(=O)Cc3cccc(-c4cccnc4)c3)c2)C1=O
InChIInChI=1S/C26H25N5O2/c27-17-26(21-6-7-21)9-12-31(25(26)33)22-8-11-29-23(15-22)30-24(32)14-18-3-1-4-19(13-18)20-5-2-10-28-16-20/h1-5,8,10-11,13,15-17,21,27H,6-7,9,12,14H2,(H,29,30,32)/b27-17+
InChIKeyQMCHWQCLCAANBX-WPWMEQJKSA-N
MW439.52 g/mol
LogP4.11
Rot. Bonds7

About N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide

N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide (PubChem CID 139333148) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide
PubChem CID139333148
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide
SMILES[H]/N=C/C1(C2CC2)CCN(c2ccnc(NC(=O)Cc3cccc(-c4cccnc4)c3)c2)C1=O
InChIInChI=1S/C26H25N5O2/c27-17-26(21-6-7-21)9-12-31(25(26)33)22-8-11-29-23(15-22)30-24(32)14-18-3-1-4-19(13-18)20-5-2-10-28-16-20/h1-5,8,10-11,13,15-17,21,27H,6-7,9,12,14H2,(H,29,30,32)/b27-17+
InChIKeyQMCHWQCLCAANBX-WPWMEQJKSA-N
XLogP4.11
TPSA99.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide (CID 139333148) is N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide is [H]/N=C/C1(C2CC2)CCN(c2ccnc(NC(=O)Cc3cccc(-c4cccnc4)c3)c2)C1=O.
What is the InChIKey of N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide?
The InChIKey is QMCHWQCLCAANBX-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H25N5O2/c27-17-26(21-6-7-21)9-12-31(25(26)33)22-8-11-29-23(15-22)30-24(32)14-18-3-1-4-19(13-18)20-5-2-10-28-16-20/h1-5,8,10-11,13,15-17,21,27H,6-7,9,12,14H2,(H,29,30,32)/b27-17+.
What are the key properties of N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide?
N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 139333148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).