3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide

C22H24FN5O3 — CID 67486074

IUPAC3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc2ncn(C(CC3CCCCC3)C(=O)Nc3ccc(F)cn3)c(=O)c2n1
InChIInChI=1S/C22H24FN5O3/c1-31-19-10-8-16-20(27-19)22(30)28(13-25-16)17(11-14-5-3-2-4-6-14)21(29)26-18-9-7-15(23)12-24-18/h7-10,12-14,17H,2-6,11H2,1H3,(H,24,26,29)
InChIKeyFDAFXCQCONXDAJ-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.48
Rot. Bonds6

About 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide

3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 67486074) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID67486074
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc2ncn(C(CC3CCCCC3)C(=O)Nc3ccc(F)cn3)c(=O)c2n1
InChIInChI=1S/C22H24FN5O3/c1-31-19-10-8-16-20(27-19)22(30)28(13-25-16)17(11-14-5-3-2-4-6-14)21(29)26-18-9-7-15(23)12-24-18/h7-10,12-14,17H,2-6,11H2,1H3,(H,24,26,29)
InChIKeyFDAFXCQCONXDAJ-UHFFFAOYSA-N
XLogP3.48
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide (CID 67486074) is 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide is COc1ccc2ncn(C(CC3CCCCC3)C(=O)Nc3ccc(F)cn3)c(=O)c2n1.
What is the InChIKey of 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is FDAFXCQCONXDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-31-19-10-8-16-20(27-19)22(30)28(13-25-16)17(11-14-5-3-2-4-6-14)21(29)26-18-9-7-15(23)12-24-18/h7-10,12-14,17H,2-6,11H2,1H3,(H,24,26,29).
What are the key properties of 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide?
3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 425.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(5-fluoro-2-pyridinyl)-2-(6-methoxy-4-oxopyrido[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 67486074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).