N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide

C20H21N5O2 — CID 122312977

IUPACN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C20H21N5O2/c1-14-22-18(25-11-10-21-13-25)12-19(23-14)27-17-8-6-16(7-9-17)24-20(26)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3,(H,24,26)
InChIKeyZOVFVJHPEMRQCP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide (PubChem CID 122312977) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
PubChem CID122312977
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C20H21N5O2/c1-14-22-18(25-11-10-21-13-25)12-19(23-14)27-17-8-6-16(7-9-17)24-20(26)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3,(H,24,26)
InChIKeyZOVFVJHPEMRQCP-UHFFFAOYSA-N
XLogP3.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312969
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]cyclohexanecarboxamide
CID 122310332
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
2-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122312976
4-tert-butyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122312986
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313018
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
CID 122313331
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
CID 122313208
5-bromo-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]furan-2-carboxamide
CID 122313019
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122313187
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122310016
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-thiophen-2-ylbenzamide
CID 122313238

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide (CID 122312977) is N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide is Cc1nc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide?
The InChIKey is ZOVFVJHPEMRQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-22-18(25-11-10-21-13-25)12-19(23-14)27-17-8-6-16(7-9-17)24-20(26)15-4-2-3-5-15/h6-13,15H,2-5H2,1H3,(H,24,26).
What are the key properties of N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide?
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 122312977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).