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

C22H26N6O3 — CID 110221055

IUPAC2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C3NC(=O)c4cccnc4N3C)cc2)CC1
InChIInChI=1S/C22H26N6O3/c1-15(29)28-12-10-27(11-13-28)14-19(30)24-17-7-5-16(6-8-17)20-25-22(31)18-4-3-9-23-21(18)26(20)2/h3-9,20H,10-14H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyKAVYOPOOFHMFGI-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.06
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide (PubChem CID 110221055) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide
PubChem CID110221055
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C3NC(=O)c4cccnc4N3C)cc2)CC1
InChIInChI=1S/C22H26N6O3/c1-15(29)28-12-10-27(11-13-28)14-19(30)24-17-7-5-16(6-8-17)20-25-22(31)18-4-3-9-23-21(18)26(20)2/h3-9,20H,10-14H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyKAVYOPOOFHMFGI-UHFFFAOYSA-N
XLogP1.06
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide (CID 110221055) is 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(C3NC(=O)c4cccnc4N3C)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide?
The InChIKey is KAVYOPOOFHMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15(29)28-12-10-27(11-13-28)14-19(30)24-17-7-5-16(6-8-17)20-25-22(31)18-4-3-9-23-21(18)26(20)2/h3-9,20H,10-14H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 110221055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).