N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide

C22H24N6O2 — CID 92631024

IUPACN-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@@H](c2ccc3c(N)nc(-c4ccccc4)nc3n2)C1
InChIInChI=1S/C22H24N6O2/c1-14(29)24-12-19(30)28-11-5-8-16(13-28)18-10-9-17-20(23)26-21(27-22(17)25-18)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,24,29)(H2,23,25,26,27)/t16-/m1/s1
InChIKeySQPKGEOFBRDMGR-MRXNPFEDSA-N
MW404.47 g/mol
LogP2.12
Rot. Bonds4

About N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 92631024) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID92631024
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@@H](c2ccc3c(N)nc(-c4ccccc4)nc3n2)C1
InChIInChI=1S/C22H24N6O2/c1-14(29)24-12-19(30)28-11-5-8-16(13-28)18-10-9-17-20(23)26-21(27-22(17)25-18)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,24,29)(H2,23,25,26,27)/t16-/m1/s1
InChIKeySQPKGEOFBRDMGR-MRXNPFEDSA-N
XLogP2.12
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
CID 92631019
2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110264752
5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92630985
N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95810239
N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
CID 95111479
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
N-[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 70313533
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
CID 124964006
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide (CID 92631024) is N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@@H](c2ccc3c(N)nc(-c4ccccc4)nc3n2)C1.
What is the InChIKey of N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is SQPKGEOFBRDMGR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(29)24-12-19(30)28-11-5-8-16(13-28)18-10-9-17-20(23)26-21(27-22(17)25-18)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,24,29)(H2,23,25,26,27)/t16-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 92631024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).