N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

C23H24ClN5O2 — CID 172590903

IUPACN-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccc[nH]c4=O)c3)n2)CC1
InChIInChI=1S/C23H24ClN5O2/c1-14(30)27-17-7-9-18(10-8-17)28-23-26-13-20(24)21(29-23)16-5-2-4-15(12-16)19-6-3-11-25-22(19)31/h2-6,11-13,17-18H,7-10H2,1H3,(H,25,31)(H,27,30)(H,26,28,29)
InChIKeyCXSHTENMDQUUBL-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.01
Rot. Bonds5

About N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172590903) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172590903
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccc[nH]c4=O)c3)n2)CC1
InChIInChI=1S/C23H24ClN5O2/c1-14(30)27-17-7-9-18(10-8-17)28-23-26-13-20(24)21(29-23)16-5-2-4-15(12-16)19-6-3-11-25-22(19)31/h2-6,11-13,17-18H,7-10H2,1H3,(H,25,31)(H,27,30)(H,26,28,29)
InChIKeyCXSHTENMDQUUBL-UHFFFAOYSA-N
XLogP4.01
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

3-[3-[5-fluoro-2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]phenyl]-1H-pyridin-2-one
CID 172591757
3-[3-[2-[(4-aminocyclohexyl)amino]-5-fluoropyrimidin-4-yl]phenyl]-1H-pyridin-2-one
CID 172591880
2-bromo-N-[4-[[5-chloro-4-[3-(4-fluorophenyl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172591552
N-[4-[[5-chloro-4-[1-(6-oxo-1H-pyridin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590009
bromoethane;4-[[5-fluoro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]piperidine-1-carbaldehyde
CID 172591420
N-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 53218141
5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 172591502
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042
methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 23551842
N-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]cyclohexyl]-4-[[5-fluoro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172589916
1-[3-[2-[(4-aminocyclohexyl)amino]-5-chloropyrimidin-4-yl]phenyl]pyridin-2-one
CID 172591905

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172590903) is N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(Cl)c(-c3cccc(-c4ccc[nH]c4=O)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is CXSHTENMDQUUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-14(30)27-17-7-9-18(10-8-17)28-23-26-13-20(24)21(29-23)16-5-2-4-15(12-16)19-6-3-11-25-22(19)31/h2-6,11-13,17-18H,7-10H2,1H3,(H,25,31)(H,27,30)(H,26,28,29).
What are the key properties of N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 437.93 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-[3-(2-oxo-1H-pyridin-3-yl)phenyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172590903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).