N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide

C27H30FN5O3 — CID 156906844

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCC2(CCO2)CC1
InChIInChI=1S/C27H30FN5O3/c28-21-5-1-3-19(15-21)8-13-31-25(34)24(20-4-2-12-29-16-20)33(26(35)23-17-30-18-32-23)22-6-9-27(10-7-22)11-14-36-27/h1-5,12,15-18,22,24H,6-11,13-14H2,(H,30,32)(H,31,34)
InChIKeyVPOROQMXOUOKHO-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.59
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide (PubChem CID 156906844) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide
PubChem CID156906844
Molecular FormulaC27H30FN5O3
Molecular Weight491.57 g/mol
Exact Mass491.23
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCC2(CCO2)CC1
InChIInChI=1S/C27H30FN5O3/c28-21-5-1-3-19(15-21)8-13-31-25(34)24(20-4-2-12-29-16-20)33(26(35)23-17-30-18-32-23)22-6-9-27(10-7-22)11-14-36-27/h1-5,12,15-18,22,24H,6-11,13-14H2,(H,30,32)(H,31,34)
InChIKeyVPOROQMXOUOKHO-UHFFFAOYSA-N
XLogP3.59
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 156906833
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 156906837
N-(2,3-dihydro-1H-inden-1-yl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
CID 156906600
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide
CID 156906789
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 156906950
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 156906938
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 156906406
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]furan-2-carboxamide
CID 156906947
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 156906398
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-5-hydroxy-4-(2-hydroxyethyl)pyrazolidine-3-carboxamide
CID 156906788
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
N-[2-(3-fluorophenyl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 74244914

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide (CID 156906844) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCC2(CCO2)CC1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide?
The InChIKey is VPOROQMXOUOKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c28-21-5-1-3-19(15-21)8-13-31-25(34)24(20-4-2-12-29-16-20)33(26(35)23-17-30-18-32-23)22-6-9-27(10-7-22)11-14-36-27/h1-5,12,15-18,22,24H,6-11,13-14H2,(H,30,32)(H,31,34).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 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-(1-oxaspiro[3.5]nonan-7-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).