N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide

C20H19FN4O2 — CID 59509080

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCc2cnccc2C)ncn1
InChIInChI=1S/C20H19FN4O2/c1-13-7-8-22-11-14(13)3-6-20(26)25-19-10-17(23-12-24-19)16-9-15(21)4-5-18(16)27-2/h4-5,7-12H,3,6H2,1-2H3,(H,23,24,25,26)
InChIKeyALZBDJBKVJTISB-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.57
Rot. Bonds6

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide (PubChem CID 59509080) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide
PubChem CID59509080
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCc2cnccc2C)ncn1
InChIInChI=1S/C20H19FN4O2/c1-13-7-8-22-11-14(13)3-6-20(26)25-19-10-17(23-12-24-19)16-9-15(21)4-5-18(16)27-2/h4-5,7-12H,3,6H2,1-2H3,(H,23,24,25,26)
InChIKeyALZBDJBKVJTISB-UHFFFAOYSA-N
XLogP3.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-986202
CID 155981972
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
(1R,2S)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)-2-phenylcyclopropanecarboxamide
CID 56944522
(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)cyclopropanecarboxamide
CID 56944620
2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 68649048
6-(cyclopropanecarbonylamino)-4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028776
Pyrimidine-4-carboxamide, 73
CID 44520950

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide (CID 59509080) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide is COc1ccc(F)cc1-c1cc(NC(=O)CCc2cnccc2C)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is ALZBDJBKVJTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-7-8-22-11-14(13)3-6-20(26)25-19-10-17(23-12-24-19)16-9-15(21)4-5-18(16)27-2/h4-5,7-12H,3,6H2,1-2H3,(H,23,24,25,26).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 366.40 g/mol, XLogP of 3.57, 6 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]-3-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 59509080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).