N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C26H36N8O3 — CID 118070537

IUPACN-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCCNc1cc(-c2nc(C(=O)Nc3cn(C)nc3N3CC(CN(CC)CC)C(C)(C)C3=O)co2)ccn1
InChIInChI=1S/C26H36N8O3/c1-7-27-21-12-17(10-11-28-21)24-30-20(16-37-24)23(35)29-19-15-32(6)31-22(19)34-14-18(13-33(8-2)9-3)26(4,5)25(34)36/h10-12,15-16,18H,7-9,13-14H2,1-6H3,(H,27,28)(H,29,35)
InChIKeyJLAPOUBHQCYNON-UHFFFAOYSA-N
MW508.63 g/mol
LogP3.48
Rot. Bonds10

About N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 118070537) has the molecular formula C26H36N8O3 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID118070537
Molecular FormulaC26H36N8O3
Molecular Weight508.63 g/mol
Exact Mass508.29
IUPAC NameN-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCCNc1cc(-c2nc(C(=O)Nc3cn(C)nc3N3CC(CN(CC)CC)C(C)(C)C3=O)co2)ccn1
InChIInChI=1S/C26H36N8O3/c1-7-27-21-12-17(10-11-28-21)24-30-20(16-37-24)23(35)29-19-15-32(6)31-22(19)34-14-18(13-33(8-2)9-3)26(4,5)25(34)36/h10-12,15-16,18H,7-9,13-14H2,1-6H3,(H,27,28)(H,29,35)
InChIKeyJLAPOUBHQCYNON-UHFFFAOYSA-N
XLogP3.48
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

4,4-dimethyl-1-[1-methyl-4-[[2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 118061330
N-[3-[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118061043
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118061048
N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118060838
N-[1-methyl-3-(1-oxo-2,8-diazaspiro[4.5]decan-2-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 118061063
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 52913876
N-[1-(4-tert-butylphenyl)-3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138726912
tert-butyl N-[4-[4-[[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 131735464
2-[2-(methylamino)-4-pyridinyl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118226407
2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 170361497
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138727494
N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 155582638

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 118070537) is N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CCNc1cc(-c2nc(C(=O)Nc3cn(C)nc3N3CC(CN(CC)CC)C(C)(C)C3=O)co2)ccn1.
What is the InChIKey of N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JLAPOUBHQCYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O3/c1-7-27-21-12-17(10-11-28-21)24-30-20(16-37-24)23(35)29-19-15-32(6)31-22(19)34-14-18(13-33(8-2)9-3)26(4,5)25(34)36/h10-12,15-16,18H,7-9,13-14H2,1-6H3,(H,27,28)(H,29,35).
What are the key properties of N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(diethylaminomethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]-1-methylpyrazol-4-yl]-2-[2-(ethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).