N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide

C22H23F2N7O — CID 95843245

IUPACN-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C22H23F2N7O/c23-17-2-1-3-18(24)22(17)30-21(32)13-31-8-4-15(5-9-31)10-16-11-19(28-14-27-16)29-20-12-25-6-7-26-20/h1-3,6-7,11-12,14-15H,4-5,8-10,13H2,(H,30,32)(H,26,27,28,29)
InChIKeyOWRWTPJYGBJMBO-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.18
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide

N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide (PubChem CID 95843245) has the molecular formula C22H23F2N7O and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
PubChem CID95843245
Molecular FormulaC22H23F2N7O
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC NameN-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C22H23F2N7O/c23-17-2-1-3-18(24)22(17)30-21(32)13-31-8-4-15(5-9-31)10-16-11-19(28-14-27-16)29-20-12-25-6-7-26-20/h1-3,6-7,11-12,14-15H,4-5,8-10,13H2,(H,30,32)(H,26,27,28,29)
InChIKeyOWRWTPJYGBJMBO-UHFFFAOYSA-N
XLogP3.18
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2,3-difluorophenyl)-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95821679
N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
CID 95843766
N-(2,6-difluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648371
2-(4-hydroxyazepan-1-yl)-N-pyrazin-2-ylacetamide
CID 131921726
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641
2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
tert-butyl 4-[[[6-(2,6-difluoroanilino)pyrimidin-4-yl]methylamino]methyl]piperidine-1-carboxylate
CID 142780522
N-(2-fluorophenyl)-2-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095958
5-[(1-methylpiperidin-4-yl)methyl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95823642
N,N-dimethyl-2-[4-[[6-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]acetamide
CID 95815288
methyl 1-[2-(2,6-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731422
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide (CID 95843245) is N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide is O=C(CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
The InChIKey is OWRWTPJYGBJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O/c23-17-2-1-3-18(24)22(17)30-21(32)13-31-8-4-15(5-9-31)10-16-11-19(28-14-27-16)29-20-12-25-6-7-26-20/h1-3,6-7,11-12,14-15H,4-5,8-10,13H2,(H,30,32)(H,26,27,28,29).
What are the key properties of N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95843245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).