4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide

C15H16FN3O2 — CID 133470671

IUPAC4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCOCc1cc(CNc2ccncc2C(N)=O)ccc1F
InChIInChI=1S/C15H16FN3O2/c1-21-9-11-6-10(2-3-13(11)16)7-19-14-4-5-18-8-12(14)15(17)20/h2-6,8H,7,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyROSGWTOWWPHZBO-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.08
Rot. Bonds6

About 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide

4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133470671) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133470671
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCOCc1cc(CNc2ccncc2C(N)=O)ccc1F
InChIInChI=1S/C15H16FN3O2/c1-21-9-11-6-10(2-3-13(11)16)7-19-14-4-5-18-8-12(14)15(17)20/h2-6,8H,7,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyROSGWTOWWPHZBO-UHFFFAOYSA-N
XLogP2.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 119777512
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780
4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133468437
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119320080
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide
CID 133471398

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide (CID 133470671) is 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide is COCc1cc(CNc2ccncc2C(N)=O)ccc1F.
What is the InChIKey of 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is ROSGWTOWWPHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-9-11-6-10(2-3-13(11)16)7-19-14-4-5-18-8-12(14)15(17)20/h2-6,8H,7,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide?
4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133470671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).