3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

C17H19N3O3 — CID 119067804

IUPAC3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1ccnc(-c2cccc(C(=O)NCC3(C)COC3)c2)n1
InChIInChI=1S/C17H19N3O3/c1-17(10-23-11-17)9-19-16(21)13-5-3-4-12(8-13)15-18-7-6-14(20-15)22-2/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyCCTRGZKUCJLWIQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.92
Rot. Bonds5

About 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 119067804) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID119067804
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1ccnc(-c2cccc(C(=O)NCC3(C)COC3)c2)n1
InChIInChI=1S/C17H19N3O3/c1-17(10-23-11-17)9-19-16(21)13-5-3-4-12(8-13)15-18-7-6-14(20-15)22-2/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyCCTRGZKUCJLWIQ-UHFFFAOYSA-N
XLogP1.92
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118787820
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 99122923
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(4-methoxypyrimidin-2-yl)benzamide
CID 119073235
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 121499310
N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386556
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 119067804) is 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is COc1ccnc(-c2cccc(C(=O)NCC3(C)COC3)c2)n1.
What is the InChIKey of 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is CCTRGZKUCJLWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(10-23-11-17)9-19-16(21)13-5-3-4-12(8-13)15-18-7-6-14(20-15)22-2/h3-8H,9-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypyrimidin-2-yl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 119067804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).