5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid

C13H10N4O2 — CID 81099512

IUPAC5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
SMILESN#Cc1cccc(NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C13H10N4O2/c14-6-10-2-1-3-12(17-10)16-8-9-4-5-11(13(18)19)15-7-9/h1-5,7H,8H2,(H,16,17)(H,18,19)
InChIKeyJGOUWFBTEXOJMZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.66
Rot. Bonds4

About 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099512) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099512
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
SMILESN#Cc1cccc(NCc2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C13H10N4O2/c14-6-10-2-1-3-12(17-10)16-8-9-4-5-11(13(18)19)15-7-9/h1-5,7H,8H2,(H,16,17)(H,18,19)
InChIKeyJGOUWFBTEXOJMZ-UHFFFAOYSA-N
XLogP1.66
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 107543116
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952
5-[(quinoxalin-2-ylamino)methyl]pyridine-2-carboxylic acid
CID 81088915
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
5-[[(6-cyano-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 64589940
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793
5-[(4-nitroanilino)methyl]pyridine-2-carboxylic acid
CID 81100171
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 133392143
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099512) is 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid is N#Cc1cccc(NCc2ccc(C(=O)O)nc2)n1.
What is the InChIKey of 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is JGOUWFBTEXOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-6-10-2-1-3-12(17-10)16-8-9-4-5-11(13(18)19)15-7-9/h1-5,7H,8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).