N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

C21H19N3O3 — CID 46386439

IUPACN-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1cccc(Oc2ccnc(-c3ccc(C(=O)NC4CC4)cc3)n2)c1
InChIInChI=1S/C21H19N3O3/c1-26-17-3-2-4-18(13-17)27-19-11-12-22-20(24-19)14-5-7-15(8-6-14)21(25)23-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,23,25)
InChIKeyOVRUFDZCAUWZKG-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.84
Rot. Bonds6

About N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386439) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386439
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1cccc(Oc2ccnc(-c3ccc(C(=O)NC4CC4)cc3)n2)c1
InChIInChI=1S/C21H19N3O3/c1-26-17-3-2-4-18(13-17)27-19-11-12-22-20(24-19)14-5-7-15(8-6-14)21(25)23-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,23,25)
InChIKeyOVRUFDZCAUWZKG-UHFFFAOYSA-N
XLogP3.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92882436
N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386556
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide
CID 117084829
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
CID 140976686

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386439) is N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1cccc(Oc2ccnc(-c3ccc(C(=O)NC4CC4)cc3)n2)c1.
What is the InChIKey of N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is OVRUFDZCAUWZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-17-3-2-4-18(13-17)27-19-11-12-22-20(24-19)14-5-7-15(8-6-14)21(25)23-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,23,25).
What are the key properties of N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).