2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid

C14H15N3O4 — CID 61189375

IUPAC2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-9-12(13(18)19)6-11(21-9)8-17-14(20)16-7-10-4-2-3-5-15-10/h2-6H,7-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAWMWVKOJKWFUCO-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid

2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid (PubChem CID 61189375) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
PubChem CID61189375
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-9-12(13(18)19)6-11(21-9)8-17-14(20)16-7-10-4-2-3-5-15-10/h2-6H,7-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAWMWVKOJKWFUCO-UHFFFAOYSA-N
XLogP1.68
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
2-methyl-5-[[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]furan-3-carboxylic acid
CID 63824877
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
2-methyl-5-[(pyridazin-3-ylmethylamino)methyl]furan-3-carboxylic acid
CID 106896707
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61405707
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226219
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
2-methyl-5-[(4-methylpentan-2-ylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61197084
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid (CID 61189375) is 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)NCc2ccccn2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
The InChIKey is AWMWVKOJKWFUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-12(13(18)19)6-11(21-9)8-17-14(20)16-7-10-4-2-3-5-15-10/h2-6H,7-8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid?
2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61189375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).