N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide

C14H14FN3O — CID 81481667

IUPACN-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CN)cn2)c1F
InChIInChI=1S/C14H14FN3O/c1-9-3-2-4-11(13(9)15)14(19)18-12-6-5-10(7-16)8-17-12/h2-6,8H,7,16H2,1H3,(H,17,18,19)
InChIKeyPCMHYJSSGKACJI-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.24
Rot. Bonds3

About N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide

N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide (PubChem CID 81481667) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide
PubChem CID81481667
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CN)cn2)c1F
InChIInChI=1S/C14H14FN3O/c1-9-3-2-4-11(13(9)15)14(19)18-12-6-5-10(7-16)8-17-12/h2-6,8H,7,16H2,1H3,(H,17,18,19)
InChIKeyPCMHYJSSGKACJI-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
CID 104613994
N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
CID 62350431
5-(aminomethyl)-N-(2,6-dimethylphenyl)pyridin-2-amine
CID 82288077
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
CID 113485144
2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566
N-[5-(aminomethyl)-2-pyridinyl]-5-ethylfuran-2-carboxamide
CID 79095429
N-(5-amino-3-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 112555333
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide (CID 81481667) is N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(CN)cn2)c1F.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide?
The InChIKey is PCMHYJSSGKACJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-3-2-4-11(13(9)15)14(19)18-12-6-5-10(7-16)8-17-12/h2-6,8H,7,16H2,1H3,(H,17,18,19).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide?
N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).