N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide

C23H24N6O2 — CID 122317252

IUPACN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)C3CCC(=O)CC3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C23H24N6O2/c1-15-25-21(14-22(26-15)29-20-4-2-3-13-24-20)27-17-7-9-18(10-8-17)28-23(31)16-5-11-19(30)12-6-16/h2-4,7-10,13-14,16H,5-6,11-12H2,1H3,(H,28,31)(H2,24,25,26,27,29)
InChIKeyNYSXQHWBHXDCRB-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.37
Rot. Bonds6

About N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 122317252) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide
PubChem CID122317252
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)C3CCC(=O)CC3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C23H24N6O2/c1-15-25-21(14-22(26-15)29-20-4-2-3-13-24-20)27-17-7-9-18(10-8-17)28-23(31)16-5-11-19(30)12-6-16/h2-4,7-10,13-14,16H,5-6,11-12H2,1H3,(H,28,31)(H2,24,25,26,27,29)
InChIKeyNYSXQHWBHXDCRB-UHFFFAOYSA-N
XLogP4.37
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122317195
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317160
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122317179
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317045
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
1-(3-chlorophenyl)-3-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122317050
1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide
CID 122317146
2,4-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122317031
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide
CID 122317137

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide (CID 122317252) is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide is Cc1nc(Nc2ccc(NC(=O)C3CCC(=O)CC3)cc2)cc(Nc2ccccn2)n1.
What is the InChIKey of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is NYSXQHWBHXDCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-25-21(14-22(26-15)29-20-4-2-3-13-24-20)27-17-7-9-18(10-8-17)28-23(31)16-5-11-19(30)12-6-16/h2-4,7-10,13-14,16H,5-6,11-12H2,1H3,(H,28,31)(H2,24,25,26,27,29).
What are the key properties of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide?
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 122317252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).