2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide

C21H25F2N5O3 — CID 175704330

IUPAC2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)(c1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C21H25F2N5O3/c1-20(19(24)30,17-5-4-14(8-26-17)31-12-13-2-3-13)28-7-6-21(22,23)15(11-28)16-9-27-18(29)10-25-16/h4-5,8-10,13,15H,2-3,6-7,11-12H2,1H3,(H2,24,30)(H,27,29)/t15-,20?/m1/s1
InChIKeyOAHYEDQRAXFRGZ-IWPPFLRJSA-N
MW433.46 g/mol
LogP1.78
Rot. Bonds7

About 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide

2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide (PubChem CID 175704330) has the molecular formula C21H25F2N5O3 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide
PubChem CID175704330
Molecular FormulaC21H25F2N5O3
Molecular Weight433.46 g/mol
Exact Mass433.19
IUPAC Name2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)(c1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C21H25F2N5O3/c1-20(19(24)30,17-5-4-14(8-26-17)31-12-13-2-3-13)28-7-6-21(22,23)15(11-28)16-9-27-18(29)10-25-16/h4-5,8-10,13,15H,2-3,6-7,11-12H2,1H3,(H2,24,30)(H,27,29)/t15-,20?/m1/s1
InChIKeyOAHYEDQRAXFRGZ-IWPPFLRJSA-N
XLogP1.78
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 175704327
2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
CID 175704360
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 164734814
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 163238185
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734906
2-[(3R)-3-(5-amino-6-oxo-1H-pyrazin-3-yl)-4,4-difluoropiperidin-1-yl]-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
CID 174231161
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 164584495
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174231004
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734757
(4aS)-6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 153259398
3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide
CID 175218041
N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide (CID 175704330) is 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide is CC(C(N)=O)(c1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is OAHYEDQRAXFRGZ-IWPPFLRJSA-N. The full InChI is InChI=1S/C21H25F2N5O3/c1-20(19(24)30,17-5-4-14(8-26-17)31-12-13-2-3-13)28-7-6-21(22,23)15(11-28)16-9-27-18(29)10-25-16/h4-5,8-10,13,15H,2-3,6-7,11-12H2,1H3,(H2,24,30)(H,27,29)/t15-,20?/m1/s1.
What are the key properties of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide?
2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 433.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 175704330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).