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

C23H23N3O3 — CID 46386556

IUPACN-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC3CCCC3)c2)n1
InChIInChI=1S/C23H23N3O3/c1-28-19-11-4-5-12-20(19)29-21-13-14-24-22(26-21)16-7-6-8-17(15-16)23(27)25-18-9-2-3-10-18/h4-8,11-15,18H,2-3,9-10H2,1H3,(H,25,27)
InChIKeyBIVRVQXAXWCKPV-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.62
Rot. Bonds6

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

N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386556) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386556
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC3CCCC3)c2)n1
InChIInChI=1S/C23H23N3O3/c1-28-19-11-4-5-12-20(19)29-21-13-14-24-22(26-21)16-7-6-8-17(15-16)23(27)25-18-9-2-3-10-18/h4-8,11-15,18H,2-3,9-10H2,1H3,(H,25,27)
InChIKeyBIVRVQXAXWCKPV-UHFFFAOYSA-N
XLogP4.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
4-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92882408
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386439
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(4-methoxypyrimidin-2-yl)benzamide
CID 119073235
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
N-cyclohexyl-3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzamide
CID 25160986
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386556) is N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC3CCCC3)c2)n1.
What is the InChIKey of N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is BIVRVQXAXWCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-19-11-4-5-12-20(19)29-21-13-14-24-22(26-21)16-7-6-8-17(15-16)23(27)25-18-9-2-3-10-18/h4-8,11-15,18H,2-3,9-10H2,1H3,(H,25,27).
What are the key properties of N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).