2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C23H26N6O — CID 122317160

IUPAC2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)CC3CCCC3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C23H26N6O/c1-16-25-21(15-22(26-16)29-20-8-4-5-13-24-20)27-18-9-11-19(12-10-18)28-23(30)14-17-6-2-3-7-17/h4-5,8-13,15,17H,2-3,6-7,14H2,1H3,(H,28,30)(H2,24,25,26,27,29)
InChIKeyDSZDCKALOHDYCJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.19
Rot. Bonds7

About 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122317160) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122317160
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)CC3CCCC3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C23H26N6O/c1-16-25-21(15-22(26-16)29-20-8-4-5-13-24-20)27-18-9-11-19(12-10-18)28-23(30)14-17-6-2-3-7-17/h4-5,8-13,15,17H,2-3,6-7,14H2,1H3,(H,28,30)(H2,24,25,26,27,29)
InChIKeyDSZDCKALOHDYCJ-UHFFFAOYSA-N
XLogP5.19
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324222
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122317195
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296738
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide
CID 122317252
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122317237
2-cyclopentyl-1-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349902
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317045
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 122317160) is 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is Cc1nc(Nc2ccc(NC(=O)CC3CCCC3)cc2)cc(Nc2ccccn2)n1.
What is the InChIKey of 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is DSZDCKALOHDYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-16-25-21(15-22(26-16)29-20-8-4-5-13-24-20)27-18-9-11-19(12-10-18)28-23(30)14-17-6-2-3-7-17/h4-5,8-13,15,17H,2-3,6-7,14H2,1H3,(H,28,30)(H2,24,25,26,27,29).
What are the key properties of 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122317160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).