N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide

C15H16FN3O — CID 64949261

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cccc(CN)c1)C(=O)c1ccncc1F
InChIInChI=1S/C15H16FN3O/c1-19(10-12-4-2-3-11(7-12)8-17)15(20)13-5-6-18-9-14(13)16/h2-7,9H,8,10,17H2,1H3
InChIKeyLNPXMFPXPOCMRZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.95
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 64949261) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID64949261
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cccc(CN)c1)C(=O)c1ccncc1F
InChIInChI=1S/C15H16FN3O/c1-19(10-12-4-2-3-11(7-12)8-17)15(20)13-5-6-18-9-14(13)16/h2-7,9H,8,10,17H2,1H3
InChIKeyLNPXMFPXPOCMRZ-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949854
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64950094
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 64949261) is N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide is CN(Cc1cccc(CN)c1)C(=O)c1ccncc1F.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is LNPXMFPXPOCMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(10-12-4-2-3-11(7-12)8-17)15(20)13-5-6-18-9-14(13)16/h2-7,9H,8,10,17H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 64949261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).