N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide

C23H25N5O2 — CID 139327424

IUPACN-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCn1cc(-c2cccc(CC(=O)Nc3cc(N4CCC(C)(C)C4=O)ccn3)c2)cn1
InChIInChI=1S/C23H25N5O2/c1-23(2)8-10-28(22(23)30)19-7-9-24-20(13-19)26-21(29)12-16-5-4-6-17(11-16)18-14-25-27(3)15-18/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H,24,26,29)
InChIKeyIATWRCXMWPMRBS-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.43
Rot. Bonds5

About N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide

N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide (PubChem CID 139327424) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
PubChem CID139327424
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCn1cc(-c2cccc(CC(=O)Nc3cc(N4CCC(C)(C)C4=O)ccn3)c2)cn1
InChIInChI=1S/C23H25N5O2/c1-23(2)8-10-28(22(23)30)19-7-9-24-20(13-19)26-21(29)12-16-5-4-6-17(11-16)18-14-25-27(3)15-18/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H,24,26,29)
InChIKeyIATWRCXMWPMRBS-UHFFFAOYSA-N
XLogP3.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327554
N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide
CID 155197003
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]phenyl]acetamide
CID 139327488
N-[4-[(3S)-3-cyclopropyl-3-ethanimidoyl-2-oxopyrrolidin-1-yl]-6-fluoro-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139333231
N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide
CID 139333148
N-[4-[(3S)-3-(dimethylamino)-2-oxo-3-prop-2-enylpyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1,2-dimethyl-3H-pyrazol-4-yl)phenyl]acetamide
CID 139333084
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(methylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
CID 118060937
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 121374858
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide (CID 139327424) is N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide is Cn1cc(-c2cccc(CC(=O)Nc3cc(N4CCC(C)(C)C4=O)ccn3)c2)cn1.
What is the InChIKey of N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is IATWRCXMWPMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-23(2)8-10-28(22(23)30)19-7-9-24-20(13-19)26-21(29)12-16-5-4-6-17(11-16)18-14-25-27(3)15-18/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H,24,26,29).
What are the key properties of N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 139327424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).