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

C18H16FN5O2 — CID 174608651

IUPAC2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCOc1cc(-c2cc(NC(=O)C(N)c3cccnc3)ncn2)ccc1F
InChIInChI=1S/C18H16FN5O2/c1-26-15-7-11(4-5-13(15)19)14-8-16(23-10-22-14)24-18(25)17(20)12-3-2-6-21-9-12/h2-10,17H,20H2,1H3,(H,22,23,24,25)
InChIKeyDKSXYKZDTMNVAS-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.32
Rot. Bonds5

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

2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 174608651) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID174608651
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCOc1cc(-c2cc(NC(=O)C(N)c3cccnc3)ncn2)ccc1F
InChIInChI=1S/C18H16FN5O2/c1-26-15-7-11(4-5-13(15)19)14-8-16(23-10-22-14)24-18(25)17(20)12-3-2-6-21-9-12/h2-10,17H,20H2,1H3,(H,22,23,24,25)
InChIKeyDKSXYKZDTMNVAS-UHFFFAOYSA-N
XLogP2.32
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 174608628
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 174623305
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
CID 59508979
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
2-amino-2-pyridin-3-ylacetohydrazide
CID 116848522
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509065
N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-2-methyl-3-pyridin-3-ylpropanamide
CID 53380065
N-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-pyridin-3-ylacetamide
CID 110753997

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (CID 174608651) is 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is COc1cc(-c2cc(NC(=O)C(N)c3cccnc3)ncn2)ccc1F.
What is the InChIKey of 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is DKSXYKZDTMNVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-15-7-11(4-5-13(15)19)14-8-16(23-10-22-14)24-18(25)17(20)12-3-2-6-21-9-12/h2-10,17H,20H2,1H3,(H,22,23,24,25).
What are the key properties of 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 353.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 174608651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).