3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide

C18H20N4O3 — CID 95801865

IUPAC3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1
InChIInChI=1S/C18H20N4O3/c1-22-16(21-18(24)14-4-3-10-19-17(14)22)12-5-7-13(8-6-12)20-15(23)9-11-25-2/h3-8,10,16H,9,11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyGELBLVGXXSKUGW-INIZCTEOSA-N
MW340.38 g/mol
LogP1.93
Rot. Bonds5

About 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide

3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide (PubChem CID 95801865) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
PubChem CID95801865
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1
InChIInChI=1S/C18H20N4O3/c1-22-16(21-18(24)14-4-3-10-19-17(14)22)12-5-7-13(8-6-12)20-15(23)9-11-25-2/h3-8,10,16H,9,11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyGELBLVGXXSKUGW-INIZCTEOSA-N
XLogP1.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51598996
N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-pyrrolidin-1-ylacetamide
CID 51599012
2-(4-hydroxypiperidin-1-yl)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51599006
2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide
CID 110221055
N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-thiomorpholin-4-ylacetamide
CID 95801998
N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 95802008
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51593275
2,5-dimethyl-N-[2-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]furan-3-carboxamide
CID 92600791
2-[4-[(2R)-butan-2-yl]piperazin-1-yl]-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 92585784
5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide
CID 110219325
(3S)-1-[2-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 51871814
(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide
CID 124810746

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide (CID 95801865) is 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide is COCCC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1.
What is the InChIKey of 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide?
The InChIKey is GELBLVGXXSKUGW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22-16(21-18(24)14-4-3-10-19-17(14)22)12-5-7-13(8-6-12)20-15(23)9-11-25-2/h3-8,10,16H,9,11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide?
3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide has a molecular weight of 340.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide is sourced from PubChem (CID 95801865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).