N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide

C22H23FN6O2 — CID 59509087

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C(c2cccnc2)N2CCNCC2)ncn1
InChIInChI=1S/C22H23FN6O2/c1-31-19-5-4-16(23)11-17(19)18-12-20(27-14-26-18)28-22(30)21(15-3-2-6-25-13-15)29-9-7-24-8-10-29/h2-6,11-14,21,24H,7-10H2,1H3,(H,26,27,28,30)
InChIKeyCNPWXLRCKWWFOM-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.27
Rot. Bonds6

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide (PubChem CID 59509087) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide
PubChem CID59509087
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C(c2cccnc2)N2CCNCC2)ncn1
InChIInChI=1S/C22H23FN6O2/c1-31-19-5-4-16(23)11-17(19)18-12-20(27-14-26-18)28-22(30)21(15-3-2-6-25-13-15)29-9-7-24-8-10-29/h2-6,11-14,21,24H,7-10H2,1H3,(H,26,27,28,30)
InChIKeyCNPWXLRCKWWFOM-UHFFFAOYSA-N
XLogP2.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide (CID 59509087) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide is COc1ccc(F)cc1-c1cc(NC(=O)C(c2cccnc2)N2CCNCC2)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide?
The InChIKey is CNPWXLRCKWWFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-31-19-5-4-16(23)11-17(19)18-12-20(27-14-26-18)28-22(30)21(15-3-2-6-25-13-15)29-9-7-24-8-10-29/h2-6,11-14,21,24H,7-10H2,1H3,(H,26,27,28,30).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide has a molecular weight of 422.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-piperazin-1-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 59509087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).