5-(benzylcarbamoylamino)pyridine-3-carboxylic acid

C14H13N3O3 — CID 63158025

IUPAC5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCc1ccccc1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c18-13(19)11-6-12(9-15-8-11)17-14(20)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,18,19)(H2,16,17,20)
InChIKeyBIWKPRIVUPRDGJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.10
Rot. Bonds4

About 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid

5-(benzylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 63158025) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID63158025
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCc1ccccc1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H13N3O3/c18-13(19)11-6-12(9-15-8-11)17-14(20)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,18,19)(H2,16,17,20)
InChIKeyBIWKPRIVUPRDGJ-UHFFFAOYSA-N
XLogP2.10
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157990
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63824516
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158090
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411

Frequently Asked Questions

What is the IUPAC name of 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid (CID 63158025) is 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid is O=C(NCc1ccccc1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is BIWKPRIVUPRDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(19)11-6-12(9-15-8-11)17-14(20)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid?
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63158025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).