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

C16H23N5O — CID 122178089

IUPAC2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCN(C)CC3)nc21
InChIInChI=1S/C16H23N5O/c1-11(2)21-14(22)5-4-12-10-17-16(19-15(12)21)18-13-6-8-20(3)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,17,18,19)
InChIKeyUZWNSXOFEBEQAU-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds3

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

2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 122178089) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID122178089
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCN(C)CC3)nc21
InChIInChI=1S/C16H23N5O/c1-11(2)21-14(22)5-4-12-10-17-16(19-15(12)21)18-13-6-8-20(3)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,17,18,19)
InChIKeyUZWNSXOFEBEQAU-UHFFFAOYSA-N
XLogP1.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 122178089) is 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(NC3CCN(C)CC3)nc21.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UZWNSXOFEBEQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11(2)21-14(22)5-4-12-10-17-16(19-15(12)21)18-13-6-8-20(3)9-7-13/h4-5,10-11,13H,6-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 301.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 122178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).