6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide

C21H19N3O3 — CID 59877154

IUPAC6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c[nH]c3c(C)nc(C#CCO)cc3c2=O)cc1
InChIInChI=1S/C21H19N3O3/c1-13-5-7-15(8-6-13)11-23-21(27)18-12-22-19-14(2)24-16(4-3-9-25)10-17(19)20(18)26/h5-8,10,12,25H,9,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHQGIOSPFJLGAGC-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.81
Rot. Bonds3

About 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide

6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide (PubChem CID 59877154) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
PubChem CID59877154
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c[nH]c3c(C)nc(C#CCO)cc3c2=O)cc1
InChIInChI=1S/C21H19N3O3/c1-13-5-7-15(8-6-13)11-23-21(27)18-12-22-19-14(2)24-16(4-3-9-25)10-17(19)20(18)26/h5-8,10,12,25H,9,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHQGIOSPFJLGAGC-UHFFFAOYSA-N
XLogP1.81
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-prop-2-ynyl-1H-quinoline-3-carboxamide
CID 87958223
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
N-[(4-bromophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707495
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006
5-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]pent-4-ynoic acid
CID 18698605
N-[(4-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carboxamide
CID 18698574
3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]prop-2-ynyl formate
CID 18698488
N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide
CID 139979666
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
N-[(4-chlorophenyl)methyl]-8-fluoro-6-[[2-hydroxypropyl(methyl)amino]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 59113281
2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane
CID 91001754
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide (CID 59877154) is 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide is Cc1ccc(CNC(=O)c2c[nH]c3c(C)nc(C#CCO)cc3c2=O)cc1.
What is the InChIKey of 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The InChIKey is HQGIOSPFJLGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-5-7-15(8-6-13)11-23-21(27)18-12-22-19-14(2)24-16(4-3-9-25)10-17(19)20(18)26/h5-8,10,12,25H,9,11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 59877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).