4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide

C18H16FN5O2 — CID 175957147

IUPAC4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C18H16FN5O2/c1-20-18(25)13-10-21-7-6-14(13)24-15-5-3-4-12(16(15)26-2)17-22-8-11(19)9-23-17/h3-10H,1-2H3,(H,20,25)(H,21,24)
InChIKeyMTQURXMTQIIONW-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.79
Rot. Bonds5

About 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide

4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (PubChem CID 175957147) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
PubChem CID175957147
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C18H16FN5O2/c1-20-18(25)13-10-21-7-6-14(13)24-15-5-3-4-12(16(15)26-2)17-22-8-11(19)9-23-17/h3-10H,1-2H3,(H,20,25)(H,21,24)
InChIKeyMTQURXMTQIIONW-UHFFFAOYSA-N
XLogP2.79
TPSA89.03 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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methyl-2-(2-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 176858309
6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166492849
3-(5-fluoropyrimidin-2-yl)-2-methoxy-N-prop-2-ynylaniline
CID 171478704
2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine
CID 138713669
4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153927
4-[2-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-N-methylpyrimidine-5-carboxamide
CID 175785213
(2-methoxy-3-pyrimidin-2-ylphenyl)carbamic acid
CID 170166465
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(2,2,2-trideuterioethyl)pyridazine-3-carboxamide
CID 157028716
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
6-[[4-[8-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]octylcarbamoyl]-2-pyridinyl]amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
CID 176629304
6-[(1-cyclopropylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492823

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (CID 175957147) is 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1cccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The InChIKey is MTQURXMTQIIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-20-18(25)13-10-21-7-6-14(13)24-15-5-3-4-12(16(15)26-2)17-22-8-11(19)9-23-17/h3-10H,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 175957147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).