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

C18H15FN4O2 — CID 59509147

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
InChIInChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)
InChIKeyIPNAKQRJOWQSIM-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.87
Rot. Bonds5

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

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 59509147) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID59509147
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1
InChIInChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24)
InChIKeyIPNAKQRJOWQSIM-UHFFFAOYSA-N
XLogP2.87
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509065
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
CID 59508979
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
CID 59509109
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 59509071
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509076
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59509139
6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
CID 165425270
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
CID 53380065
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (CID 59509147) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is IPNAKQRJOWQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-16-5-4-13(19)8-14(16)15-9-17(22-11-21-15)23-18(24)7-12-3-2-6-20-10-12/h2-6,8-11H,7H2,1H3,(H,21,22,23,24).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 338.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 59509147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).