N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

C18H16FN3O — CID 53159736

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c1-22-12-15(14-6-8-20-9-7-14)10-17(22)18(23)21-11-13-2-4-16(19)5-3-13/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeySFKBLZMVOJIGHM-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.16
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159736) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159736
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c1-22-12-15(14-6-8-20-9-7-14)10-17(22)18(23)21-11-13-2-4-16(19)5-3-13/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeySFKBLZMVOJIGHM-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71819739
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159749
N-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 53369192
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
N-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
N-(1,3-benzodioxol-5-ylmethyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159839

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159736) is N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is Cn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is SFKBLZMVOJIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-22-12-15(14-6-8-20-9-7-14)10-17(22)18(23)21-11-13-2-4-16(19)5-3-13/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).