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

C18H21N5O2 — CID 51598996

IUPAC2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1
InChIInChI=1S/C18H21N5O2/c1-22(2)11-15(24)20-13-8-6-12(7-9-13)16-21-18(25)14-5-4-10-19-17(14)23(16)3/h4-10,16H,11H2,1-3H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyMUVZTYHJLSTZPM-INIZCTEOSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds4

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

2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide (PubChem CID 51598996) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
PubChem CID51598996
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1
InChIInChI=1S/C18H21N5O2/c1-22(2)11-15(24)20-13-8-6-12(7-9-13)16-21-18(25)14-5-4-10-19-17(14)23(16)3/h4-10,16H,11H2,1-3H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyMUVZTYHJLSTZPM-INIZCTEOSA-N
XLogP1.46
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
CID 95801865
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
(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
5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide
CID 110219325
N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110219323

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide (CID 51598996) is 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide is CN(C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is MUVZTYHJLSTZPM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22(2)11-15(24)20-13-8-6-12(7-9-13)16-21-18(25)14-5-4-10-19-17(14)23(16)3/h4-10,16H,11H2,1-3H3,(H,20,24)(H,21,25)/t16-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide?
2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 51598996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).