1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide

C19H23N3O2 — CID 51099905

IUPAC1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCc3ccnc(C)n3)CCCC2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-20-12-9-16(22-14)13-21-18(23)19(10-3-4-11-19)15-5-7-17(24-2)8-6-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,23)
InChIKeyLBTSNGOEMDEHAK-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 51099905) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID51099905
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCc3ccnc(C)n3)CCCC2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-20-12-9-16(22-14)13-21-18(23)19(10-3-4-11-19)15-5-7-17(24-2)8-6-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,23)
InChIKeyLBTSNGOEMDEHAK-UHFFFAOYSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
1-(4-methoxyphenyl)-N-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 92595335
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 64678565
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 83072125
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide (CID 51099905) is 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NCc3ccnc(C)n3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is LBTSNGOEMDEHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-20-12-9-16(22-14)13-21-18(23)19(10-3-4-11-19)15-5-7-17(24-2)8-6-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51099905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).