N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C17H18N4O3 — CID 122262410

IUPACN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)C3CCC(=O)N3)ncn2)cc1
InChIInChI=1S/C17H18N4O3/c1-24-13-4-2-11(3-5-13)15-8-12(19-10-20-15)9-18-17(23)14-6-7-16(22)21-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,18,23)(H,21,22)
InChIKeyVHLTVVOSCXLZQU-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.05
Rot. Bonds5

About N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 122262410) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID122262410
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)C3CCC(=O)N3)ncn2)cc1
InChIInChI=1S/C17H18N4O3/c1-24-13-4-2-11(3-5-13)15-8-12(19-10-20-15)9-18-17(23)14-6-7-16(22)21-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,18,23)(H,21,22)
InChIKeyVHLTVVOSCXLZQU-UHFFFAOYSA-N
XLogP1.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
tert-butyl 2-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 122262593
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 122262568
4-hydroxy-4-methyl-N-[[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 123512365
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 122262582
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 122262410) is N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(-c2cc(CNC(=O)C3CCC(=O)N3)ncn2)cc1.
What is the InChIKey of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VHLTVVOSCXLZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-13-4-2-11(3-5-13)15-8-12(19-10-20-15)9-18-17(23)14-6-7-16(22)21-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,18,23)(H,21,22).
What are the key properties of N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 122262410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).