N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

C22H25N3O3 — CID 54679528

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-4-5-8-11-25-17-10-7-6-9-16(17)20(26)19(22(25)28)21(27)24-18-13-14(2)12-15(3)23-18/h6-7,9-10,12-13,26H,4-5,8,11H2,1-3H3,(H,23,24,27)
InChIKeyZCLDTIJMJXBSSH-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.16
Rot. Bonds6

About N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54679528) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54679528
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-4-5-8-11-25-17-10-7-6-9-16(17)20(26)19(22(25)28)21(27)24-18-13-14(2)12-15(3)23-18/h6-7,9-10,12-13,26H,4-5,8,11H2,1-3H3,(H,23,24,27)
InChIKeyZCLDTIJMJXBSSH-UHFFFAOYSA-N
XLogP4.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 89188317
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (CID 54679528) is N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is ZCLDTIJMJXBSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-5-8-11-25-17-10-7-6-9-16(17)20(26)19(22(25)28)21(27)24-18-13-14(2)12-15(3)23-18/h6-7,9-10,12-13,26H,4-5,8,11H2,1-3H3,(H,23,24,27).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54679528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).