N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

C22H23FN6O2 — CID 172591517

IUPACN-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3ccnc(-n4ccccc4=O)c3)n2)CC1
InChIInChI=1S/C22H23FN6O2/c1-14(30)26-16-5-7-17(8-6-16)27-22-25-13-18(23)21(28-22)15-9-10-24-19(12-15)29-11-3-2-4-20(29)31/h2-4,9-13,16-17H,5-8H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyMZEGUPYTFPUIAC-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172591517) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172591517
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(F)c(-c3ccnc(-n4ccccc4=O)c3)n2)CC1
InChIInChI=1S/C22H23FN6O2/c1-14(30)26-16-5-7-17(8-6-16)27-22-25-13-18(23)21(28-22)15-9-10-24-19(12-15)29-11-3-2-4-20(29)31/h2-4,9-13,16-17H,5-8H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyMZEGUPYTFPUIAC-UHFFFAOYSA-N
XLogP2.69
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

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Dalpiciclib
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Jnk-IN-7
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4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172591517) is N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(F)c(-c3ccnc(-n4ccccc4=O)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is MZEGUPYTFPUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-14(30)26-16-5-7-17(8-6-16)27-22-25-13-18(23)21(28-22)15-9-10-24-19(12-15)29-11-3-2-4-20(29)31/h2-4,9-13,16-17H,5-8H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-fluoro-4-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172591517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).