3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide

C12H12FN3O — CID 103713431

IUPAC3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
SMILESCn1cccc1CNC(=O)c1ccncc1F
InChIInChI=1S/C12H12FN3O/c1-16-6-2-3-9(16)7-15-12(17)10-4-5-14-8-11(10)13/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyADLQREUANWLHTK-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.49
Rot. Bonds3

About 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide

3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 103713431) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID103713431
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
SMILESCn1cccc1CNC(=O)c1ccncc1F
InChIInChI=1S/C12H12FN3O/c1-16-6-2-3-9(16)7-15-12(17)10-4-5-14-8-11(10)13/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyADLQREUANWLHTK-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713400
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide (CID 103713431) is 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide is Cn1cccc1CNC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is ADLQREUANWLHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-16-6-2-3-9(16)7-15-12(17)10-4-5-14-8-11(10)13/h2-6,8H,7H2,1H3,(H,15,17).
What are the key properties of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103713431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).