6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide

C13H12FN3O2 — CID 113323529

IUPAC6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(F)n2)cn1
InChIInChI=1S/C13H12FN3O2/c1-19-12-6-5-9(7-15-12)8-16-13(18)10-3-2-4-11(14)17-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyHPAFNUFTSSNXGD-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.55
Rot. Bonds4

About 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide

6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 113323529) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID113323529
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(F)n2)cn1
InChIInChI=1S/C13H12FN3O2/c1-19-12-6-5-9(7-15-12)8-16-13(18)10-3-2-4-11(14)17-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyHPAFNUFTSSNXGD-UHFFFAOYSA-N
XLogP1.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261569
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 113323529) is 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cccc(F)n2)cn1.
What is the InChIKey of 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is HPAFNUFTSSNXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-12-6-5-9(7-15-12)8-16-13(18)10-3-2-4-11(14)17-10/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113323529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).