3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

C24H26N4O3 — CID 124961728

IUPAC3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1
InChIInChI=1S/C24H26N4O3/c1-30-20-9-5-18(6-10-20)7-12-24(29)28-14-15-31-22(17-28)21-11-8-19(16-26-21)27-23-4-2-3-13-25-23/h2-6,8-11,13,16,22H,7,12,14-15,17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyHDUKEAZRSXSQEM-QFIPXVFZSA-N
MW418.50 g/mol
LogP3.76
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 124961728) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID124961728
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1
InChIInChI=1S/C24H26N4O3/c1-30-20-9-5-18(6-10-20)7-12-24(29)28-14-15-31-22(17-28)21-11-8-19(16-26-21)27-23-4-2-3-13-25-23/h2-6,8-11,13,16,22H,7,12,14-15,17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyHDUKEAZRSXSQEM-QFIPXVFZSA-N
XLogP3.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 155984918
4-(4-fluorophenyl)-1-[2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 127251663
4-(4-fluorophenyl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 125014289
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928
N-pyridin-2-yl-6-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]pyridin-3-amine
CID 124994337
3-(4-methoxy-N-methylanilino)-1-[(2S)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960916
3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124993957
3-(4-methoxyphenyl)-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 127252127
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124967067
1-[4-acetyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110252415
6-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 125006392

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 124961728) is 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is COc1ccc(CCC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is HDUKEAZRSXSQEM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-20-9-5-18(6-10-20)7-12-24(29)28-14-15-31-22(17-28)21-11-8-19(16-26-21)27-23-4-2-3-13-25-23/h2-6,8-11,13,16,22H,7,12,14-15,17H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 418.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124961728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).