3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one

C19H25N5O2 — CID 125007577

IUPAC3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccnc([C@@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1
InChIInChI=1S/C19H25N5O2/c1-15-5-8-21-19(22-15)17-14-24(10-11-26-17)18(25)6-9-23(2)13-16-4-3-7-20-12-16/h3-5,7-8,12,17H,6,9-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyUOOYTPIKCPFTKW-KRWDZBQOSA-N
MW355.44 g/mol
LogP1.60
Rot. Bonds6

About 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one

3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 125007577) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
PubChem CID125007577
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1ccnc([C@@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1
InChIInChI=1S/C19H25N5O2/c1-15-5-8-21-19(22-15)17-14-24(10-11-26-17)18(25)6-9-23(2)13-16-4-3-7-20-12-16/h3-5,7-8,12,17H,6,9-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyUOOYTPIKCPFTKW-KRWDZBQOSA-N
XLogP1.60
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 124949111
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125009198
1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 95554855
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124995314
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125010165
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one (CID 125007577) is 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one is Cc1ccnc([C@@H]2CN(C(=O)CCN(C)Cc3cccnc3)CCO2)n1.
What is the InChIKey of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is UOOYTPIKCPFTKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-5-8-21-19(22-15)17-14-24(10-11-26-17)18(25)6-9-23(2)13-16-4-3-7-20-12-16/h3-5,7-8,12,17H,6,9-11,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one?
3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125007577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).