2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C19H27N5O2 — CID 118146819

IUPAC2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)C(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C19H27N5O2/c1-12(2)18(26)23-9-7-15(8-10-23)21-19-20-11-14-5-6-16(25)24(13(3)4)17(14)22-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,20,21,22)
InChIKeyZEAYLBFKDUMFPX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.43
Rot. Bonds4

About 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118146819) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID118146819
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)C(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1
InChIInChI=1S/C19H27N5O2/c1-12(2)18(26)23-9-7-15(8-10-23)21-19-20-11-14-5-6-16(25)24(13(3)4)17(14)22-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,20,21,22)
InChIKeyZEAYLBFKDUMFPX-UHFFFAOYSA-N
XLogP2.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-hydroxycyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146892
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
1-methyl-3-[4-[(8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 122632853
8-propan-2-yl-2-[[(1S)-1-[4-[(1R)-1-(4-prop-2-enoylpiperazin-1-yl)propyl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 151572744
6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 164925501
tert-butyl 4-[6-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 10195395
tert-butyl 4-[[8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 155572119
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
2-fluoro-4-[(1S)-1-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]ethyl]-N-(1-prop-1-enylpiperidin-4-yl)benzamide
CID 175513354
1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282593
8-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 163196400

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 118146819) is 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)C(=O)N1CCC(Nc2ncc3ccc(=O)n(C(C)C)c3n2)CC1.
What is the InChIKey of 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZEAYLBFKDUMFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)18(26)23-9-7-15(8-10-23)21-19-20-11-14-5-6-16(25)24(13(3)4)17(14)22-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,20,21,22).
What are the key properties of 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 357.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118146819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).