2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid

C9H11N3O3 — CID 84676605

IUPAC2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
SMILESCNC(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C9H11N3O3/c1-10-9(15)12-5-7-4-6(8(13)14)2-3-11-7/h2-4H,5H2,1H3,(H,13,14)(H2,10,12,15)
InChIKeyIBZUSEOOEZGENY-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.21
Rot. Bonds3

About 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid

2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid (PubChem CID 84676605) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
PubChem CID84676605
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
SMILESCNC(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C9H11N3O3/c1-10-9(15)12-5-7-4-6(8(13)14)2-3-11-7/h2-4H,5H2,1H3,(H,13,14)(H2,10,12,15)
InChIKeyIBZUSEOOEZGENY-UHFFFAOYSA-N
XLogP0.21
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
1-[(4-amino-2-pyridinyl)methyl]-3-methylurea
CID 154843666
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665
2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325221
2-[(2-methylsulfanylpropylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113466776
2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325267
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325057
2-[(1,2-oxazol-5-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 106421045
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102

Frequently Asked Questions

What is the IUPAC name of 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid (CID 84676605) is 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid is CNC(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The InChIKey is IBZUSEOOEZGENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-10-9(15)12-5-7-4-6(8(13)14)2-3-11-7/h2-4H,5H2,1H3,(H,13,14)(H2,10,12,15).
What are the key properties of 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid has a molecular weight of 209.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 84676605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).