N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide

C24H27ClN4O3 — CID 162661857

IUPACN-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide
SMILESCc1c(O)c(=O)ccn1CC(=O)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C24H27ClN4O3/c1-15-24(32)21(30)9-12-29(15)14-22(31)26-10-4-11-27-23-17-5-2-3-6-19(17)28-20-13-16(25)7-8-18(20)23/h7-9,12-13,32H,2-6,10-11,14H2,1H3,(H,26,31)(H,27,28)
InChIKeyIXAZUTMHCKIABM-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.56
Rot. Bonds7

About N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide

N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide (PubChem CID 162661857) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide
PubChem CID162661857
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC NameN-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide
SMILESCc1c(O)c(=O)ccn1CC(=O)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C24H27ClN4O3/c1-15-24(32)21(30)9-12-29(15)14-22(31)26-10-4-11-27-23-17-5-2-3-6-19(17)28-20-13-16(25)7-8-18(20)23/h7-9,12-13,32H,2-6,10-11,14H2,1H3,(H,26,31)(H,27,28)
InChIKeyIXAZUTMHCKIABM-UHFFFAOYSA-N
XLogP3.56
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide (CID 162661857) is N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide is Cc1c(O)c(=O)ccn1CC(=O)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide?
The InChIKey is IXAZUTMHCKIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-15-24(32)21(30)9-12-29(15)14-22(31)26-10-4-11-27-23-17-5-2-3-6-19(17)28-20-13-16(25)7-8-18(20)23/h7-9,12-13,32H,2-6,10-11,14H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide?
N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide has a molecular weight of 454.96 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 162661857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).