1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one

C25H31N5O2 — CID 139208792

IUPAC1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3NNCC3CC3CCN(C(=O)c4cccnc4)CC3)ccc21
InChIInChI=1S/C25H31N5O2/c1-29-22-6-4-19(14-18(22)5-7-23(29)31)24-21(16-27-28-24)13-17-8-11-30(12-9-17)25(32)20-3-2-10-26-15-20/h2-4,6,10,14-15,17,21,24,27-28H,5,7-9,11-13,16H2,1H3
InChIKeyZKLTZDKUMBOWJA-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.70
Rot. Bonds4

About 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one

1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one (PubChem CID 139208792) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
PubChem CID139208792
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C3NNCC3CC3CCN(C(=O)c4cccnc4)CC3)ccc21
InChIInChI=1S/C25H31N5O2/c1-29-22-6-4-19(14-18(22)5-7-23(29)31)24-21(16-27-28-24)13-17-8-11-30(12-9-17)25(32)20-3-2-10-26-15-20/h2-4,6,10,14-15,17,21,24,27-28H,5,7-9,11-13,16H2,1H3
InChIKeyZKLTZDKUMBOWJA-UHFFFAOYSA-N
XLogP2.70
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one (CID 139208792) is 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C3NNCC3CC3CCN(C(=O)c4cccnc4)CC3)ccc21.
What is the InChIKey of 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is ZKLTZDKUMBOWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-29-22-6-4-19(14-18(22)5-7-23(29)31)24-21(16-27-28-24)13-17-8-11-30(12-9-17)25(32)20-3-2-10-26-15-20/h2-4,6,10,14-15,17,21,24,27-28H,5,7-9,11-13,16H2,1H3.
What are the key properties of 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 433.56 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrazolidin-3-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139208792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).