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

C9H11N3O3 — CID 84676608

IUPAC6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESCNC(=O)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C9H11N3O3/c1-10-9(15)11-5-6-3-2-4-7(12-6)8(13)14/h2-4H,5H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyVKXYDBUHAUHXOQ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.21
Rot. Bonds3

About 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid

6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 84676608) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID84676608
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESCNC(=O)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C9H11N3O3/c1-10-9(15)11-5-6-3-2-4-7(12-6)8(13)14/h2-4H,5H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyVKXYDBUHAUHXOQ-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

ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904907
6-[(thian-4-ylmethylamino)methyl]pyridine-2-carboxylic acid
CID 106904943
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
CID 125499687
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255

Frequently Asked Questions

What is the IUPAC name of 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid (CID 84676608) is 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid is CNC(=O)NCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is VKXYDBUHAUHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-10-9(15)11-5-6-3-2-4-7(12-6)8(13)14/h2-4H,5H2,1H3,(H,13,14)(H2,10,11,15).
What are the key properties of 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
6-[(methylcarbamoylamino)methyl]pyridine-2-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 6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 84676608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).