N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide

C24H26ClFN6O — CID 110103788

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide
SMILESCc1nc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)n1
InChIInChI=1S/C24H26ClFN6O/c1-15-19(25)4-3-5-20(15)30-24(33)14-32-10-8-17(9-11-32)21-12-23(29-16(2)28-21)31-22-7-6-18(26)13-27-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,30,33)(H,27,28,29,31)
InChIKeyFXPPHDXOKNBTOM-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.84
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide (PubChem CID 110103788) has the molecular formula C24H26ClFN6O and a molecular weight of 468.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide
PubChem CID110103788
Molecular FormulaC24H26ClFN6O
Molecular Weight468.96 g/mol
Exact Mass468.18
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide
SMILESCc1nc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)n1
InChIInChI=1S/C24H26ClFN6O/c1-15-19(25)4-3-5-20(15)30-24(33)14-32-10-8-17(9-11-32)21-12-23(29-16(2)28-21)31-22-7-6-18(26)13-27-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,30,33)(H,27,28,29,31)
InChIKeyFXPPHDXOKNBTOM-UHFFFAOYSA-N
XLogP4.84
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]acetamide
CID 171327738
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CID 47279950
2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 124947488
N-(2-fluorophenyl)-2-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095958
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(2-methoxyphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095808
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962287
N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093998
N-(3-chloro-2-methylphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
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N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide (CID 110103788) is N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide is Cc1nc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide?
The InChIKey is FXPPHDXOKNBTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O/c1-15-19(25)4-3-5-20(15)30-24(33)14-32-10-8-17(9-11-32)21-12-23(29-16(2)28-21)31-22-7-6-18(26)13-27-22/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,30,33)(H,27,28,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide has a molecular weight of 468.96 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110103788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).