2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C24H31ClN4O — CID 68857495

IUPAC2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(N(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-3-4-9-21-23(24(29)28-16-6-5-10-22(28)26-21)18-11-13-19(14-12-18)27(2)20-8-7-15-25-17-20;/h5-6,10-14,16,20,25H,3-4,7-9,15,17H2,1-2H3;1H
InChIKeyCKWOMZABDIWVPN-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.31
Rot. Bonds6

About 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 68857495) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID68857495
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(N(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-3-4-9-21-23(24(29)28-16-6-5-10-22(28)26-21)18-11-13-19(14-12-18)27(2)20-8-7-15-25-17-20;/h5-6,10-14,16,20,25H,3-4,7-9,15,17H2,1-2H3;1H
InChIKeyCKWOMZABDIWVPN-UHFFFAOYSA-N
XLogP4.31
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 68857495) is 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCCCc1nc2ccccn2c(=O)c1-c1ccc(N(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is CKWOMZABDIWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.ClH/c1-3-4-9-21-23(24(29)28-16-6-5-10-22(28)26-21)18-11-13-19(14-12-18)27(2)20-8-7-15-25-17-20;/h5-6,10-14,16,20,25H,3-4,7-9,15,17H2,1-2H3;1H.
What are the key properties of 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[4-[methyl(piperidin-3-yl)amino]phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 68857495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).