2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

C25H29ClN6O — CID 73297208

IUPAC2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)nc2)ncc1Cl
InChIInChI=1S/C25H29ClN6O/c1-16(24(27)33)20-5-3-2-4-17(20)6-8-23-21(26)15-30-25(32-23)31-19-7-9-22(29-14-19)18-10-12-28-13-11-18/h2-5,7,9,14-16,18,28H,6,8,10-13H2,1H3,(H2,27,33)(H,30,31,32)
InChIKeyJKWCRJGFBDYBDW-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.11
Rot. Bonds8

About 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73297208) has the molecular formula C25H29ClN6O and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73297208
Molecular FormulaC25H29ClN6O
Molecular Weight465.00 g/mol
Exact Mass464.21
IUPAC Name2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)nc2)ncc1Cl
InChIInChI=1S/C25H29ClN6O/c1-16(24(27)33)20-5-3-2-4-17(20)6-8-23-21(26)15-30-25(32-23)31-19-7-9-22(29-14-19)18-10-12-28-13-11-18/h2-5,7,9,14-16,18,28H,6,8,10-13H2,1H3,(H2,27,33)(H,30,31,32)
InChIKeyJKWCRJGFBDYBDW-UHFFFAOYSA-N
XLogP4.11
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73297208) is 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)nc2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is JKWCRJGFBDYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O/c1-16(24(27)33)20-5-3-2-4-17(20)6-8-23-21(26)15-30-25(32-23)31-19-7-9-22(29-14-19)18-10-12-28-13-11-18/h2-5,7,9,14-16,18,28H,6,8,10-13H2,1H3,(H2,27,33)(H,30,31,32).
What are the key properties of 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 465.00 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73297208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).