N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide

C21H24FN5O2 — CID 126825343

IUPACN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)c2ncc3c(F)cccn23)cc1
InChIInChI=1S/C21H24FN5O2/c1-4-26(5-2)21(29)25-16-10-8-15(9-11-16)14(3)24-20(28)19-23-13-18-17(22)7-6-12-27(18)19/h6-14H,4-5H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyIUMOLIRFMPLURS-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.84
Rot. Bonds6

About N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide

N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 126825343) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID126825343
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)c2ncc3c(F)cccn23)cc1
InChIInChI=1S/C21H24FN5O2/c1-4-26(5-2)21(29)25-16-10-8-15(9-11-16)14(3)24-20(28)19-23-13-18-17(22)7-6-12-27(18)19/h6-14H,4-5H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyIUMOLIRFMPLURS-UHFFFAOYSA-N
XLogP3.84
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
CID 87001432
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 87001428
N-[(1R)-1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3-(methoxymethyl)benzamide
CID 94002339
cis-(1S,3R)-3-[1-[4-(diethylcarbamoylamino)phenyl]ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066617
1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570681
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
7-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55675387
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
3-[4-[1-(2,2-dicyanoethenylamino)ethyl]phenyl]-1,1-diethylurea
CID 75416076
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide (CID 126825343) is N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide is CCN(CC)C(=O)Nc1ccc(C(C)NC(=O)c2ncc3c(F)cccn23)cc1.
What is the InChIKey of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is IUMOLIRFMPLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-4-26(5-2)21(29)25-16-10-8-15(9-11-16)14(3)24-20(28)19-23-13-18-17(22)7-6-12-27(18)19/h6-14H,4-5H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide?
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 126825343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).