1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one

C24H31N5O — CID 146641031

IUPAC1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
SMILESCC(C)Cn1cc(-c2cnn(C)c2)cc(NC2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C24H31N5O/c1-18(2)15-29-17-19(20-14-25-27(3)16-20)13-23(24(29)30)26-21-9-11-28(12-10-21)22-7-5-4-6-8-22/h4-8,13-14,16-18,21,26H,9-12,15H2,1-3H3
InChIKeyNPXJDOQWTHJJQY-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.99
Rot. Bonds6

About 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one

1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one (PubChem CID 146641031) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
PubChem CID146641031
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
SMILESCC(C)Cn1cc(-c2cnn(C)c2)cc(NC2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C24H31N5O/c1-18(2)15-29-17-19(20-14-25-27(3)16-20)13-23(24(29)30)26-21-9-11-28(12-10-21)22-7-5-4-6-8-22/h4-8,13-14,16-18,21,26H,9-12,15H2,1-3H3
InChIKeyNPXJDOQWTHJJQY-UHFFFAOYSA-N
XLogP3.99
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one?
The IUPAC name of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one (CID 146641031) is 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one is CC(C)Cn1cc(-c2cnn(C)c2)cc(NC2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one?
The InChIKey is NPXJDOQWTHJJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-18(2)15-29-17-19(20-14-25-27(3)16-20)13-23(24(29)30)26-21-9-11-28(12-10-21)22-7-5-4-6-8-22/h4-8,13-14,16-18,21,26H,9-12,15H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one?
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one has a molecular weight of 405.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one is sourced from PubChem (CID 146641031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).