1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide

C23H26ClN5O3 — CID 59362459

IUPAC1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccnc(NCCCCCNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)n1
InChIInChI=1S/C23H26ClN5O3/c1-32-20-10-13-27-23(28-20)26-12-4-2-3-11-25-21(30)19-9-6-14-29(22(19)31)16-17-7-5-8-18(24)15-17/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyATKBDZSZMMTHKL-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.36
Rot. Bonds11

About 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362459) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
PubChem CID59362459
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccnc(NCCCCCNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)n1
InChIInChI=1S/C23H26ClN5O3/c1-32-20-10-13-27-23(28-20)26-12-4-2-3-11-25-21(30)19-9-6-14-29(22(19)31)16-17-7-5-8-18(24)15-17/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyATKBDZSZMMTHKL-UHFFFAOYSA-N
XLogP3.36
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide (CID 59362459) is 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide is COc1ccnc(NCCCCCNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)n1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ATKBDZSZMMTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-32-20-10-13-27-23(28-20)26-12-4-2-3-11-25-21(30)19-9-6-14-29(22(19)31)16-17-7-5-8-18(24)15-17/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,25,30)(H,26,27,28).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).