6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C19H26N4O2 — CID 84596675

IUPAC6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC(Cc3cnn(C)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H26N4O2/c1-13(2)6-17-8-16(9-18(24)21-17)19(25)23-5-4-14(12-23)7-15-10-20-22(3)11-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,21,24)
InChIKeyHVRRACNTVDEHNG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.01
Rot. Bonds5

About 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 84596675) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID84596675
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC(Cc3cnn(C)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H26N4O2/c1-13(2)6-17-8-16(9-18(24)21-17)19(25)23-5-4-14(12-23)7-15-10-20-22(3)11-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,21,24)
InChIKeyHVRRACNTVDEHNG-UHFFFAOYSA-N
XLogP2.01
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 84596675) is 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CC(C)Cc1cc(C(=O)N2CCC(Cc3cnn(C)c3)C2)cc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HVRRACNTVDEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)6-17-8-16(9-18(24)21-17)19(25)23-5-4-14(12-23)7-15-10-20-22(3)11-15/h8-11,13-14H,4-7,12H2,1-3H3,(H,21,24).
What are the key properties of 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 84596675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).