N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide

C23H25N5O — CID 24877440

IUPACN-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCCCC4)c3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyZOTCIBXODUTCKF-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.84
Rot. Bonds5

About N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide

N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 24877440) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide
PubChem CID24877440
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCCCC4)c3)n2)cc1
InChIInChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyZOTCIBXODUTCKF-UHFFFAOYSA-N
XLogP4.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide (CID 24877440) is N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCCCC4)c3)n2)cc1.
What is the InChIKey of N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is ZOTCIBXODUTCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide?
N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 24877440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).