2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide

C19H26F2N8O2 — CID 77324669

IUPAC2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCC(N)C2)nc1)C1CCN(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C19H26F2N8O2/c1-2-29(14-4-7-27(8-5-14)19-25-16(15(20)21)26-31-19)17(30)12-9-23-18(24-10-12)28-6-3-13(22)11-28/h9-10,13-15H,2-8,11,22H2,1H3
InChIKeyCLBISILZTFESDJ-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.47
Rot. Bonds6

About 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide

2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide (PubChem CID 77324669) has the molecular formula C19H26F2N8O2 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide
PubChem CID77324669
Molecular FormulaC19H26F2N8O2
Molecular Weight436.47 g/mol
Exact Mass436.21
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCC(N)C2)nc1)C1CCN(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C19H26F2N8O2/c1-2-29(14-4-7-27(8-5-14)19-25-16(15(20)21)26-31-19)17(30)12-9-23-18(24-10-12)28-6-3-13(22)11-28/h9-10,13-15H,2-8,11,22H2,1H3
InChIKeyCLBISILZTFESDJ-UHFFFAOYSA-N
XLogP1.47
TPSA117.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide with MolForge

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Related Compounds

tert-butyl N-[(3R,4S)-1-[5-[[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-ethylcarbamoyl]pyrimidin-2-yl]-4-(2,4-difluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 144535390
2-[(3R)-3-aminopyrrolidin-1-yl]-N-ethyl-N-[1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidine-5-carboxamide;2-fluoro-5-methylphosphinine
CID 144535304
2-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]-N-[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 144535423
N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 46981662
2-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-ethyl-N-[1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidine-5-carboxamide
CID 71509342
2-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]-N-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 144535412
tert-butyl N-[1-[5-[[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-ethylcarbamoyl]pyrimidin-2-yl]-4-(2,4-difluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 78047263
tert-butyl N-[(3R,4S)-4-[(1R)-2,5-difluorocyclohepta-2,4-dien-1-yl]-1-[5-[ethyl-[1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]carbamoyl]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 71276259
tert-butyl N-[1-[5-[ethyl-[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]carbamoyl]pyrimidin-2-yl]-4-(2-fluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 78047252
propan-2-yl 4-[[5-[2-[(3R)-3-aminopyrrolidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 70852793
N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 71112581
[(3S,4S)-4-amino-1-[5-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-2-yl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 53491969

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide (CID 77324669) is 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(N2CCC(N)C2)nc1)C1CCN(c2nc(C(F)F)no2)CC1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide?
The InChIKey is CLBISILZTFESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N8O2/c1-2-29(14-4-7-27(8-5-14)19-25-16(15(20)21)26-31-19)17(30)12-9-23-18(24-10-12)28-6-3-13(22)11-28/h9-10,13-15H,2-8,11,22H2,1H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide?
2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-[1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 77324669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).