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

C21H23N7O3 — CID 146421047

IUPAC3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)n1
InChIInChI=1S/C21H23N7O3/c1-13-15(31-17-7-9-22-18(26-17)14-11-23-27(4)12-14)5-6-16(24-13)25-20(30)28-10-8-21(2,3)19(28)29/h5-7,9,11-12H,8,10H2,1-4H3,(H,24,25,30)
InChIKeyAZGDJSJSBRKHKF-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.16
Rot. Bonds4

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

3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide (PubChem CID 146421047) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide
PubChem CID146421047
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)n1
InChIInChI=1S/C21H23N7O3/c1-13-15(31-17-7-9-22-18(26-17)14-11-23-27(4)12-14)5-6-16(24-13)25-20(30)28-10-8-21(2,3)19(28)29/h5-7,9,11-12H,8,10H2,1-4H3,(H,24,25,30)
InChIKeyAZGDJSJSBRKHKF-UHFFFAOYSA-N
XLogP3.16
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide (CID 146421047) is 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]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)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(C)(C)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)n1.
What is the InChIKey of 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
The InChIKey is AZGDJSJSBRKHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-13-15(31-17-7-9-22-18(26-17)14-11-23-27(4)12-14)5-6-16(24-13)25-20(30)28-10-8-21(2,3)19(28)29/h5-7,9,11-12H,8,10H2,1-4H3,(H,24,25,30).
What are the key properties of 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide?
3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 146421047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).