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

C24H32N6O2 — CID 92585784

IUPAC2-[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
SMILESCC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1
InChIInChI=1S/C24H32N6O2/c1-4-17(2)30-14-12-29(13-15-30)16-21(31)26-19-9-7-18(8-10-19)22-27-24(32)20-6-5-11-25-23(20)28(22)3/h5-11,17,22H,4,12-16H2,1-3H3,(H,26,31)(H,27,32)/t17-,22+/m1/s1
InChIKeyPUJXXFUBRSZFKN-VGSWGCGISA-N
MW436.56 g/mol
LogP2.31
Rot. Bonds6

About 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

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 (PubChem CID 92585784) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID92585784
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-[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
SMILESCC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1
InChIInChI=1S/C24H32N6O2/c1-4-17(2)30-14-12-29(13-15-30)16-21(31)26-19-9-7-18(8-10-19)22-27-24(32)20-6-5-11-25-23(20)28(22)3/h5-11,17,22H,4,12-16H2,1-3H3,(H,26,31)(H,27,32)/t17-,22+/m1/s1
InChIKeyPUJXXFUBRSZFKN-VGSWGCGISA-N
XLogP2.31
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide
CID 110221055
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
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
(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
2-(dimethylamino)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]acetamide
CID 51598996
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
5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide
CID 110219325
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 55590669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is PUJXXFUBRSZFKN-VGSWGCGISA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-17(2)30-14-12-29(13-15-30)16-21(31)26-19-9-7-18(8-10-19)22-27-24(32)20-6-5-11-25-23(20)28(22)3/h5-11,17,22H,4,12-16H2,1-3H3,(H,26,31)(H,27,32)/t17-,22+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 436.56 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92585784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).