3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide

C21H23N5O2 — CID 133294785

IUPAC3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide
SMILESCCc1cc(Nc2ccc(OCCC(=O)NC)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H23N5O2/c1-3-16-14-19(26-21(25-16)15-8-11-23-12-9-15)24-17-4-6-18(7-5-17)28-13-10-20(27)22-2/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,22,27)(H,24,25,26)
InChIKeyPEAORDVNXRGOEQ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.36
Rot. Bonds8

About 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide

3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide (PubChem CID 133294785) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide
PubChem CID133294785
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide
SMILESCCc1cc(Nc2ccc(OCCC(=O)NC)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H23N5O2/c1-3-16-14-19(26-21(25-16)15-8-11-23-12-9-15)24-17-4-6-18(7-5-17)28-13-10-20(27)22-2/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,22,27)(H,24,25,26)
InChIKeyPEAORDVNXRGOEQ-UHFFFAOYSA-N
XLogP3.36
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 56785557
N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
CID 133329432
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006872
methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate
CID 91642537
6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133294446
ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate
CID 156544026
3-[[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid
CID 56767974
N-[(4-amino-2-pyridinyl)methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 166363517
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
N-[3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 56804311

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide (CID 133294785) is 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide is CCc1cc(Nc2ccc(OCCC(=O)NC)cc2)nc(-c2ccncc2)n1.
What is the InChIKey of 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide?
The InChIKey is PEAORDVNXRGOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-16-14-19(26-21(25-16)15-8-11-23-12-9-15)24-17-4-6-18(7-5-17)28-13-10-20(27)22-2/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,22,27)(H,24,25,26).
What are the key properties of 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide?
3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide has a molecular weight of 377.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 133294785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).