N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide

C20H20FN5O2 — CID 95099085

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(-n2cnc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)nc1
InChIInChI=1S/C20H20FN5O2/c1-3-19(27)25-16-8-9-18(22-10-16)26-11-17(23-12-26)20(28)24-13(2)14-4-6-15(21)7-5-14/h4-13H,3H2,1-2H3,(H,24,28)(H,25,27)/t13-/m1/s1
InChIKeyNUPRZBWMOOZSRQ-CYBMUJFWSA-N
MW381.41 g/mol
LogP3.25
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 95099085) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID95099085
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(-n2cnc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)nc1
InChIInChI=1S/C20H20FN5O2/c1-3-19(27)25-16-8-9-18(22-10-16)26-11-17(23-12-26)20(28)24-13(2)14-4-6-15(21)7-5-14/h4-13H,3H2,1-2H3,(H,24,28)(H,25,27)/t13-/m1/s1
InChIKeyNUPRZBWMOOZSRQ-CYBMUJFWSA-N
XLogP3.25
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
CID 92901163
N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156915
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95560076
N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156985
N-[6-[4-(3,5-dimethylpiperidine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156927
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95104412
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide (CID 95099085) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide is CCC(=O)Nc1ccc(-n2cnc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)nc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is NUPRZBWMOOZSRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-3-19(27)25-16-8-9-18(22-10-16)26-11-17(23-12-26)20(28)24-13(2)14-4-6-15(21)7-5-14/h4-13H,3H2,1-2H3,(H,24,28)(H,25,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 95099085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).