3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide

C22H24N6O3 — CID 139549388

IUPAC3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)
InChIKeyNXFPMDWYDKHFMM-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.77
Rot. Bonds4

About 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide

3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide (PubChem CID 139549388) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide
PubChem CID139549388
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)
InChIKeyNXFPMDWYDKHFMM-UHFFFAOYSA-N
XLogP3.77
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide (CID 139549388) is 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
The InChIKey is NXFPMDWYDKHFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30).
What are the key properties of 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 139549388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).