N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

C22H22FN3O — CID 55972294

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c(C)n1-c1cccnc1
InChIInChI=1S/C22H22FN3O/c1-15-12-20(16(2)26(15)19-4-3-11-24-13-19)21(27)25-14-22(9-10-22)17-5-7-18(23)8-6-17/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,27)
InChIKeyFBAJJGWGQSTJNL-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.09
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 55972294) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID55972294
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c(C)n1-c1cccnc1
InChIInChI=1S/C22H22FN3O/c1-15-12-20(16(2)26(15)19-4-3-11-24-13-19)21(27)25-14-22(9-10-22)17-5-7-18(23)8-6-17/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,27)
InChIKeyFBAJJGWGQSTJNL-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71888436
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
2,5-dimethyl-1-pyridin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrole-3-carboxamide
CID 47029958
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71896385
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55971773
N-[(E)-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126241373
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55678327
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (CID 55972294) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c(C)n1-c1cccnc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is FBAJJGWGQSTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-12-20(16(2)26(15)19-4-3-11-24-13-19)21(27)25-14-22(9-10-22)17-5-7-18(23)8-6-17/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,27).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55972294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).