N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide

C19H20N4O3 — CID 18584400

IUPACN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H20N4O3/c1-13-11-15(4-5-16(13)23-10-2-3-17(23)24)22-19(26)18(25)21-12-14-6-8-20-9-7-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyPCRXXVATKRAUDP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.77
Rot. Bonds4

About N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide

N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 18584400) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID18584400
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1N1CCCC1=O
InChIInChI=1S/C19H20N4O3/c1-13-11-15(4-5-16(13)23-10-2-3-17(23)24)22-19(26)18(25)21-12-14-6-8-20-9-7-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyPCRXXVATKRAUDP-UHFFFAOYSA-N
XLogP1.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide (CID 18584400) is N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide is Cc1cc(NC(=O)C(=O)NCc2ccncc2)ccc1N1CCCC1=O.
What is the InChIKey of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is PCRXXVATKRAUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-11-15(4-5-16(13)23-10-2-3-17(23)24)22-19(26)18(25)21-12-14-6-8-20-9-7-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 352.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 18584400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).