3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide

C25H35N5O — CID 27478148

IUPAC3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1
InChIInChI=1S/C25H35N5O/c1-19-18-23(30-16-6-3-7-17-30)29-25(26-19)28-22-13-11-21(12-14-22)27-24(31)15-10-20-8-4-2-5-9-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyQEQPCHAZAYKFFK-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.82
Rot. Bonds7

About 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide

3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide (PubChem CID 27478148) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide
PubChem CID27478148
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1
InChIInChI=1S/C25H35N5O/c1-19-18-23(30-16-6-3-7-17-30)29-25(26-19)28-22-13-11-21(12-14-22)27-24(31)15-10-20-8-4-2-5-9-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyQEQPCHAZAYKFFK-UHFFFAOYSA-N
XLogP5.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide (CID 27478148) is 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1.
What is the InChIKey of 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The InChIKey is QEQPCHAZAYKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-19-18-23(30-16-6-3-7-17-30)29-25(26-19)28-22-13-11-21(12-14-22)27-24(31)15-10-20-8-4-2-5-9-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,27,31)(H,26,28,29).
What are the key properties of 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide?
3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 27478148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).