N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide

C27H23FN6O3 — CID 156906850

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide
SMILESCc1nc2ccc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2o1
InChIInChI=1S/C27H23FN6O3/c1-17-33-22-8-7-21(13-24(22)37-17)34(27(36)23-15-30-16-32-23)25(19-5-3-10-29-14-19)26(35)31-11-9-18-4-2-6-20(28)12-18/h2-8,10,12-16,25H,9,11H2,1H3,(H,30,32)(H,31,35)
InChIKeyVUYSAAYLRDLSSZ-UHFFFAOYSA-N
MW498.52 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide (PubChem CID 156906850) has the molecular formula C27H23FN6O3 and a molecular weight of 498.52 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide
PubChem CID156906850
Molecular FormulaC27H23FN6O3
Molecular Weight498.52 g/mol
Exact Mass498.18
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide
SMILESCc1nc2ccc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2o1
InChIInChI=1S/C27H23FN6O3/c1-17-33-22-8-7-21(13-24(22)37-17)34(27(36)23-15-30-16-32-23)25(19-5-3-10-29-14-19)26(35)31-11-9-18-4-2-6-20(28)12-18/h2-8,10,12-16,25H,9,11H2,1H3,(H,30,32)(H,31,35)
InChIKeyVUYSAAYLRDLSSZ-UHFFFAOYSA-N
XLogP4.14
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(1,1,2,2,2-pentafluoroethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755212
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
CID 71542383
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24791737
(2,2-Difluoro-2-pyridin-2-yl-ethyl)-[2-(2-[1,2,4]triazol-1-yl-benzyl)-benzooxazol-4-yl]-amine
CID 10365507
(2,2-Difluoro-2-piperidin-2-yl-ethyl)-[2-(2-[1,2,4]triazol-1-yl-benzyl)-benzooxazol-4-yl]-amine
CID 10410866
4-(2-(2-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040796
4-(2-(4-butylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040966
N-methyl-4-(2-(3-(trifluoromethyl)phenylamino)benzo[d]oxazol-5-yloxy)picolinamide
CID 22041067

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide (CID 156906850) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide is Cc1nc2ccc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2o1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide?
The InChIKey is VUYSAAYLRDLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O3/c1-17-33-22-8-7-21(13-24(22)37-17)34(27(36)23-15-30-16-32-23)25(19-5-3-10-29-14-19)26(35)31-11-9-18-4-2-6-20(28)12-18/h2-8,10,12-16,25H,9,11H2,1H3,(H,30,32)(H,31,35).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide has a molecular weight of 498.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).