2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one

C20H21N5O3 — CID 59258937

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(=O)CC3)c2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-11-15-9-16(12-3-8-17(28-2)22-10-12)19(27)25(18(15)24-20(21)23-11)13-4-6-14(26)7-5-13/h3,8-10,13H,4-7H2,1-2H3,(H2,21,23,24)
InChIKeyDCSIILMUEDEUPF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258937) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258937
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(=O)CC3)c2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-11-15-9-16(12-3-8-17(28-2)22-10-12)19(27)25(18(15)24-20(21)23-11)13-4-6-14(26)7-5-13/h3,8-10,13H,4-7H2,1-2H3,(H2,21,23,24)
InChIKeyDCSIILMUEDEUPF-UHFFFAOYSA-N
XLogP2.44
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258937) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(=O)CC3)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DCSIILMUEDEUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-15-9-16(12-3-8-17(28-2)22-10-12)19(27)25(18(15)24-20(21)23-11)13-4-6-14(26)7-5-13/h3,8-10,13H,4-7H2,1-2H3,(H2,21,23,24).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 379.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).