1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one

C19H26N4O — CID 162722995

IUPAC1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one
SMILESCc1cc(-c2ccc(N3CCNCC3)nc2C(C)C)cn(C)c1=O
InChIInChI=1S/C19H26N4O/c1-13(2)18-16(15-11-14(3)19(24)22(4)12-15)5-6-17(21-18)23-9-7-20-8-10-23/h5-6,11-13,20H,7-10H2,1-4H3
InChIKeyQQSUDLFYMBWXOP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.29
Rot. Bonds3

About 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one

1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one (PubChem CID 162722995) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one
PubChem CID162722995
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one
SMILESCc1cc(-c2ccc(N3CCNCC3)nc2C(C)C)cn(C)c1=O
InChIInChI=1S/C19H26N4O/c1-13(2)18-16(15-11-14(3)19(24)22(4)12-15)5-6-17(21-18)23-9-7-20-8-10-23/h5-6,11-13,20H,7-10H2,1-4H3
InChIKeyQQSUDLFYMBWXOP-UHFFFAOYSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one (CID 162722995) is 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one is Cc1cc(-c2ccc(N3CCNCC3)nc2C(C)C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one?
The InChIKey is QQSUDLFYMBWXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)18-16(15-11-14(3)19(24)22(4)12-15)5-6-17(21-18)23-9-7-20-8-10-23/h5-6,11-13,20H,7-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one?
1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(6-piperazin-1-yl-2-propan-2-yl-3-pyridinyl)pyridin-2-one is sourced from PubChem (CID 162722995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).