N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide

C18H23F2N5O — CID 154765295

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(F)F)CC2)c(C)n1-c1cnccn1
InChIInChI=1S/C18H23F2N5O/c1-12-9-15(13(2)25(12)17-10-21-5-6-22-17)18(26)23-14-3-7-24(8-4-14)11-16(19)20/h5-6,9-10,14,16H,3-4,7-8,11H2,1-2H3,(H,23,26)
InChIKeyDVBDQOWCKUZVBH-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.34
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide (PubChem CID 154765295) has the molecular formula C18H23F2N5O and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide
PubChem CID154765295
Molecular FormulaC18H23F2N5O
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(CC(F)F)CC2)c(C)n1-c1cnccn1
InChIInChI=1S/C18H23F2N5O/c1-12-9-15(13(2)25(12)17-10-21-5-6-22-17)18(26)23-14-3-7-24(8-4-14)11-16(19)20/h5-6,9-10,14,16H,3-4,7-8,11H2,1-2H3,(H,23,26)
InChIKeyDVBDQOWCKUZVBH-UHFFFAOYSA-N
XLogP2.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 136554741
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 78863183
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
2-chloro-1-(2,5-dimethyl-1-pyrazin-2-ylpyrrol-3-yl)ethanone
CID 43616146
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901581
N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 25394128
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 138034276
6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
CID 144895125

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide (CID 154765295) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(CC(F)F)CC2)c(C)n1-c1cnccn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide?
The InChIKey is DVBDQOWCKUZVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O/c1-12-9-15(13(2)25(12)17-10-21-5-6-22-17)18(26)23-14-3-7-24(8-4-14)11-16(19)20/h5-6,9-10,14,16H,3-4,7-8,11H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 154765295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).