4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide

C13H12FN3O — CID 70655233

IUPAC4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
SMILESNCc1ccc(C(=O)Nc2cccnc2)c(F)c1
InChIInChI=1S/C13H12FN3O/c14-12-6-9(7-15)3-4-11(12)13(18)17-10-2-1-5-16-8-10/h1-6,8H,7,15H2,(H,17,18)
InChIKeyHEVSCXZNDXQPNT-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.93
Rot. Bonds3

About 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide

4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide (PubChem CID 70655233) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
PubChem CID70655233
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
SMILESNCc1ccc(C(=O)Nc2cccnc2)c(F)c1
InChIInChI=1S/C13H12FN3O/c14-12-6-9(7-15)3-4-11(12)13(18)17-10-2-1-5-16-8-10/h1-6,8H,7,15H2,(H,17,18)
InChIKeyHEVSCXZNDXQPNT-UHFFFAOYSA-N
XLogP1.93
TPSA68.01 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
methyl 2-fluoro-4-[(pyridin-3-ylamino)methyl]benzoate
CID 126507621
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
3,5-difluoro-4-hydrazinyl-N-pyridin-3-ylbenzamide
CID 55158095
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide (CID 70655233) is 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide is NCc1ccc(C(=O)Nc2cccnc2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide?
The InChIKey is HEVSCXZNDXQPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-12-6-9(7-15)3-4-11(12)13(18)17-10-2-1-5-16-8-10/h1-6,8H,7,15H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide?
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide has a molecular weight of 245.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 70655233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).