N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide

C13H12FN3O — CID 114253893

IUPACN-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2cncc(F)c2)cc1
InChIInChI=1S/C13H12FN3O/c1-15-11-4-2-9(3-5-11)13(18)17-12-6-10(14)7-16-8-12/h2-8,15H,1H3,(H,17,18)
InChIKeyHEMZSKDCMBFTJT-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.51
Rot. Bonds3

About N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide

N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide (PubChem CID 114253893) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
PubChem CID114253893
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2cncc(F)c2)cc1
InChIInChI=1S/C13H12FN3O/c1-15-11-4-2-9(3-5-11)13(18)17-12-6-10(14)7-16-8-12/h2-8,15H,1H3,(H,17,18)
InChIKeyHEMZSKDCMBFTJT-UHFFFAOYSA-N
XLogP2.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114254070
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
CID 107578422
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
4-hydrazinyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586745
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
2-fluoro-N-(5-fluoro-3-pyridinyl)-6-hydroxybenzamide
CID 114217702

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide (CID 114253893) is N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2cncc(F)c2)cc1.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide?
The InChIKey is HEMZSKDCMBFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-15-11-4-2-9(3-5-11)13(18)17-12-6-10(14)7-16-8-12/h2-8,15H,1H3,(H,17,18).
What are the key properties of N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide?
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide has a molecular weight of 245.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide is sourced from PubChem (CID 114253893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).