N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide

C24H25F3N6O — CID 127246655

IUPACN-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide
SMILESCc1cc(Nc2ccc(F)cn2)nc(C2CCN(C(C)C(=O)Nc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C24H25F3N6O/c1-14-11-22(31-21-6-4-18(26)13-28-21)32-23(29-14)16-7-9-33(10-8-16)15(2)24(34)30-20-12-17(25)3-5-19(20)27/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,30,34)(H,28,29,31,32)
InChIKeyXEVOCRIURZABBL-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.55
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide

N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide (PubChem CID 127246655) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide
PubChem CID127246655
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC NameN-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide
SMILESCc1cc(Nc2ccc(F)cn2)nc(C2CCN(C(C)C(=O)Nc3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C24H25F3N6O/c1-14-11-22(31-21-6-4-18(26)13-28-21)32-23(29-14)16-7-9-33(10-8-16)15(2)24(34)30-20-12-17(25)3-5-19(20)27/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,30,34)(H,28,29,31,32)
InChIKeyXEVOCRIURZABBL-UHFFFAOYSA-N
XLogP4.55
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide (CID 127246655) is N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide is Cc1cc(Nc2ccc(F)cn2)nc(C2CCN(C(C)C(=O)Nc3cc(F)ccc3F)CC2)n1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide?
The InChIKey is XEVOCRIURZABBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-14-11-22(31-21-6-4-18(26)13-28-21)32-23(29-14)16-7-9-33(10-8-16)15(2)24(34)30-20-12-17(25)3-5-19(20)27/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,30,34)(H,28,29,31,32).
What are the key properties of N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide has a molecular weight of 470.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methylpyrimidin-2-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 127246655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).