methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen

C16H23N3O3 — CID 144699732

IUPACmethanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen
SMILESCO.COc1cc(CCc2cnc(C)nc2)cc(C(N)=O)c1.[H][H]
InChIInChI=1S/C15H17N3O2.CH4O.H2/c1-10-17-8-12(9-18-10)4-3-11-5-13(15(16)19)7-14(6-11)20-2;1-2;/h5-9H,3-4H2,1-2H3,(H2,16,19);2H,1H3;1H
InChIKeyASSWJVNLMTUATR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.53
Rot. Bonds5

About methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen

methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen (PubChem CID 144699732) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Namemethanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen
PubChem CID144699732
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen
SMILESCO.COc1cc(CCc2cnc(C)nc2)cc(C(N)=O)c1.[H][H]
InChIInChI=1S/C15H17N3O2.CH4O.H2/c1-10-17-8-12(9-18-10)4-3-11-5-13(15(16)19)7-14(6-11)20-2;1-2;/h5-9H,3-4H2,1-2H3,(H2,16,19);2H,1H3;1H
InChIKeyASSWJVNLMTUATR-UHFFFAOYSA-N
XLogP1.53
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103568126
N,3-dimethoxy-5-[2-[2-(1H-pyrazol-4-ylamino)pyrimidin-5-yl]ethyl]benzamide
CID 86304983
1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
CID 172869342
3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
CID 107508253
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-[3-[2-[2-(4-chloroanilino)pyrimidin-5-yl]ethyl]-5-methoxyphenyl]-2-methoxyethanone
CID 162164185
ethyl 3-(2-cyanoethyl)-5-methoxybenzoate
CID 134641956
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
methyl 4-[2-[3-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869618
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate
CID 175177068
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619

Frequently Asked Questions

What is the IUPAC name of methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen?
The IUPAC name of methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen (CID 144699732) is methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen.
What is the SMILES notation for methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen?
The canonical SMILES for methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen is CO.COc1cc(CCc2cnc(C)nc2)cc(C(N)=O)c1.[H][H].
What is the InChIKey of methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen?
The InChIKey is ASSWJVNLMTUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.CH4O.H2/c1-10-17-8-12(9-18-10)4-3-11-5-13(15(16)19)7-14(6-11)20-2;1-2;/h5-9H,3-4H2,1-2H3,(H2,16,19);2H,1H3;1H.
What are the key properties of methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen?
methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen has a molecular weight of 305.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzamide;molecular hydrogen is sourced from PubChem (CID 144699732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).