N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine

C30H41FN4O2 — CID 144913788

IUPACN-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine
SMILESCCCCC(C)(C)C(CCC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1.COc1ccc(F)cn1
InChIInChI=1S/C24H35N3O.C6H6FNO/c1-7-9-14-24(4,5)21(11-8-2)27(6)23(28)20-17-18(3)12-13-19(20)22-25-15-10-16-26-22;1-9-6-3-2-5(7)4-8-6/h10,12-13,15-17,21H,7-9,11,14H2,1-6H3;2-4H,1H3
InChIKeyJWNQWCQEPFDWBR-UHFFFAOYSA-N
MW508.68 g/mol
LogP7.14
Rot. Bonds10

About N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine

N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine (PubChem CID 144913788) has the molecular formula C30H41FN4O2 and a molecular weight of 508.68 g/mol. Its IUPAC name is N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine.

Molecular Properties

Compound NameN-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine
PubChem CID144913788
Molecular FormulaC30H41FN4O2
Molecular Weight508.68 g/mol
Exact Mass508.32
IUPAC NameN-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine
SMILESCCCCC(C)(C)C(CCC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1.COc1ccc(F)cn1
InChIInChI=1S/C24H35N3O.C6H6FNO/c1-7-9-14-24(4,5)21(11-8-2)27(6)23(28)20-17-18(3)12-13-19(20)22-25-15-10-16-26-22;1-9-6-3-2-5(7)4-8-6/h10,12-13,15-17,21H,7-9,11,14H2,1-6H3;2-4H,1H3
InChIKeyJWNQWCQEPFDWBR-UHFFFAOYSA-N
XLogP7.14
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.68
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Filorexant
CID 25128145
Dora-22
CID 25126515
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
2-Amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 52949940
7-[(4-Methoxyphenyl)acetyl]-2-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane
CID 53390181
7-[(4-Methoxyphenyl)acetyl]-2-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
CID 58438475
N-[2-[6-fluoro-2-(2-methoxypyrimidin-5-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71456413
2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526207
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 90411960
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 90412585
[(2R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 134141417

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine?
The IUPAC name of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine (CID 144913788) is N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine.
What is the SMILES notation for N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine?
The canonical SMILES for N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine is CCCCC(C)(C)C(CCC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1.COc1ccc(F)cn1.
What is the InChIKey of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine?
The InChIKey is JWNQWCQEPFDWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O.C6H6FNO/c1-7-9-14-24(4,5)21(11-8-2)27(6)23(28)20-17-18(3)12-13-19(20)22-25-15-10-16-26-22;1-9-6-3-2-5(7)4-8-6/h10,12-13,15-17,21H,7-9,11,14H2,1-6H3;2-4H,1H3.
What are the key properties of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine?
N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine has a molecular weight of 508.68 g/mol, XLogP of 7.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine is sourced from PubChem (CID 144913788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).