2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C13H10FN3O3 — CID 114324148

IUPAC2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2ccncc2F)c1
InChIInChI=1S/C13H10FN3O3/c14-11-7-15-3-2-10(11)12(18)17-6-9-5-8(13(19)20)1-4-16-9/h1-5,7H,6H2,(H,17,18)(H,19,20)
InChIKeyUAQAUJNFPCOBEH-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.24
Rot. Bonds4

About 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324148) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324148
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2ccncc2F)c1
InChIInChI=1S/C13H10FN3O3/c14-11-7-15-3-2-10(11)12(18)17-6-9-5-8(13(19)20)1-4-16-9/h1-5,7H,6H2,(H,17,18)(H,19,20)
InChIKeyUAQAUJNFPCOBEH-UHFFFAOYSA-N
XLogP1.24
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 105066572
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
2-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324148) is 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNC(=O)c2ccncc2F)c1.
What is the InChIKey of 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is UAQAUJNFPCOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-11-7-15-3-2-10(11)12(18)17-6-9-5-8(13(19)20)1-4-16-9/h1-5,7H,6H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 275.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).