5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide

C14H14FN3O2 — CID 146080383

IUPAC5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)c(F)cn2)ccn1
InChIInChI=1S/C14H14FN3O2/c1-9-5-12(17-8-11(9)15)14(19)18-7-10-3-4-16-13(6-10)20-2/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyYEMIWHMWSQURQS-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.86
Rot. Bonds4

About 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide

5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide (PubChem CID 146080383) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
PubChem CID146080383
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)c(F)cn2)ccn1
InChIInChI=1S/C14H14FN3O2/c1-9-5-12(17-8-11(9)15)14(19)18-7-10-3-4-16-13(6-10)20-2/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyYEMIWHMWSQURQS-UHFFFAOYSA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86987150
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide (CID 146080383) is 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide is COc1cc(CNC(=O)c2cc(C)c(F)cn2)ccn1.
What is the InChIKey of 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide?
The InChIKey is YEMIWHMWSQURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-5-12(17-8-11(9)15)14(19)18-7-10-3-4-16-13(6-10)20-2/h3-6,8H,7H2,1-2H3,(H,18,19).
What are the key properties of 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide?
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 146080383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).