N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide

C24H24F2N6O2 — CID 146528080

IUPACN-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Oc2ncccc2-c2ccnc(NC3CCCNC3)n2)c(F)c1F)C1CC1
InChIInChI=1S/C24H24F2N6O2/c25-20-18(31-22(33)14-5-6-14)7-8-19(21(20)26)34-23-16(4-2-11-28-23)17-9-12-29-24(32-17)30-15-3-1-10-27-13-15/h2,4,7-9,11-12,14-15,27H,1,3,5-6,10,13H2,(H,31,33)(H,29,30,32)
InChIKeyNRENIAIQFZBCCV-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.12
Rot. Bonds7

About N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide

N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide (PubChem CID 146528080) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide
PubChem CID146528080
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Oc2ncccc2-c2ccnc(NC3CCCNC3)n2)c(F)c1F)C1CC1
InChIInChI=1S/C24H24F2N6O2/c25-20-18(31-22(33)14-5-6-14)7-8-19(21(20)26)34-23-16(4-2-11-28-23)17-9-12-29-24(32-17)30-15-3-1-10-27-13-15/h2,4,7-9,11-12,14-15,27H,1,3,5-6,10,13H2,(H,31,33)(H,29,30,32)
InChIKeyNRENIAIQFZBCCV-UHFFFAOYSA-N
XLogP4.12
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-[[4-[2-[4-(cyclopropanecarbonylamino)-2,3-difluorophenoxy]-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 152667102
2-cyclohexyl-N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]ethanesulfonamide
CID 146528194
N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4,4-dimethylpentane-1-sulfonamide
CID 174239673
N-[2,3-difluoro-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-4,4-dimethylpentane-1-sulfonamide
CID 146528164
N-[2,3-difluoro-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1-(2-fluorophenyl)methanesulfonamide
CID 167358738
3-cyano-N-[2,3-difluoro-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-methylbutane-1-sulfonamide
CID 167358692
N-[2,3-difluoro-4-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 146529208
(1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
CID 135328289
2-chloro-N-[2-fluoro-3-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzenesulfonamide
CID 146528172
cis-(1S,2R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopropane-1-carboxamide
CID 135328260
trans-(1S,2S)-2-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopropane-1-carboxamide
CID 135328110
(1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
CID 135328275

Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide (CID 146528080) is N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Oc2ncccc2-c2ccnc(NC3CCCNC3)n2)c(F)c1F)C1CC1.
What is the InChIKey of N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
The InChIKey is NRENIAIQFZBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c25-20-18(31-22(33)14-5-6-14)7-8-19(21(20)26)34-23-16(4-2-11-28-23)17-9-12-29-24(32-17)30-15-3-1-10-27-13-15/h2,4,7-9,11-12,14-15,27H,1,3,5-6,10,13H2,(H,31,33)(H,29,30,32).
What are the key properties of N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide has a molecular weight of 466.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 146528080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).