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

C18H15F2N3O — CID 53159740

IUPACN-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C18H15F2N3O/c1-23-11-14(13-2-4-21-5-3-13)8-17(23)18(24)22-10-12-6-15(19)9-16(20)7-12/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyRJDDNQLDIFADTB-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.30
Rot. Bonds4

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

N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159740) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159740
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C18H15F2N3O/c1-23-11-14(13-2-4-21-5-3-13)8-17(23)18(24)22-10-12-6-15(19)9-16(20)7-12/h2-9,11H,10H2,1H3,(H,22,24)
InChIKeyRJDDNQLDIFADTB-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71819739
1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159749
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841032
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
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-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159740) is N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is Cn1cc(-c2ccncc2)cc1C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is RJDDNQLDIFADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-23-11-14(13-2-4-21-5-3-13)8-17(23)18(24)22-10-12-6-15(19)9-16(20)7-12/h2-9,11H,10H2,1H3,(H,22,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).