2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

C26H31ClN6O — CID 73297209

IUPAC2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCN(C)CC3)nc2)ncc1Cl
InChIInChI=1S/C26H31ClN6O/c1-17(25(28)34)21-6-4-3-5-18(21)7-9-24-22(27)16-30-26(32-24)31-20-8-10-23(29-15-20)19-11-13-33(2)14-12-19/h3-6,8,10,15-17,19H,7,9,11-14H2,1-2H3,(H2,28,34)(H,30,31,32)
InChIKeyLTCMPYHWTMXQPF-UHFFFAOYSA-N
MW479.03 g/mol
LogP4.45
Rot. Bonds8

About 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73297209) has the molecular formula C26H31ClN6O and a molecular weight of 479.03 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73297209
Molecular FormulaC26H31ClN6O
Molecular Weight479.03 g/mol
Exact Mass478.22
IUPAC Name2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCN(C)CC3)nc2)ncc1Cl
InChIInChI=1S/C26H31ClN6O/c1-17(25(28)34)21-6-4-3-5-18(21)7-9-24-22(27)16-30-26(32-24)31-20-8-10-23(29-15-20)19-11-13-33(2)14-12-19/h3-6,8,10,15-17,19H,7,9,11-14H2,1-2H3,(H2,28,34)(H,30,31,32)
InChIKeyLTCMPYHWTMXQPF-UHFFFAOYSA-N
XLogP4.45
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73297209) is 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(C3CCN(C)CC3)nc2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is LTCMPYHWTMXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O/c1-17(25(28)34)21-6-4-3-5-18(21)7-9-24-22(27)16-30-26(32-24)31-20-8-10-23(29-15-20)19-11-13-33(2)14-12-19/h3-6,8,10,15-17,19H,7,9,11-14H2,1-2H3,(H2,28,34)(H,30,31,32).
What are the key properties of 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 479.03 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73297209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).