7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C19H21N5O4 — CID 135171475

IUPAC7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC2CCN(c3nc4[nH]c(=O)[nH]c(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C19H21N5O4/c1-11-9-14-16(22-19(26)23-18(14)25)21-17(11)24-7-5-12(6-8-24)28-13-3-4-15(27-2)20-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,21,22,23,25,26)
InChIKeyVOJFYTFIOUYKMO-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.37
Rot. Bonds4

About 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 135171475) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID135171475
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC2CCN(c3nc4[nH]c(=O)[nH]c(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C19H21N5O4/c1-11-9-14-16(22-19(26)23-18(14)25)21-17(11)24-7-5-12(6-8-24)28-13-3-4-15(27-2)20-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,21,22,23,25,26)
InChIKeyVOJFYTFIOUYKMO-UHFFFAOYSA-N
XLogP1.37
TPSA113.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 135171475) is 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(OC2CCN(c3nc4[nH]c(=O)[nH]c(=O)c4cc3C)CC2)cn1.
What is the InChIKey of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VOJFYTFIOUYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11-9-14-16(22-19(26)23-18(14)25)21-17(11)24-7-5-12(6-8-24)28-13-3-4-15(27-2)20-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,21,22,23,25,26).
What are the key properties of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 135171475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).