methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate

C14H13N3O3 — CID 22076450

IUPACmethyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate
SMILESCOC(=O)c1c(Nc2ccccn2)cccc1C(N)=O
InChIInChI=1S/C14H13N3O3/c1-20-14(19)12-9(13(15)18)5-4-6-10(12)17-11-7-2-3-8-16-11/h2-8H,1H3,(H2,15,18)(H,16,17)
InChIKeyDKVMNMQXYFBXNE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.71
Rot. Bonds4

About methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate

methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate (PubChem CID 22076450) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate
PubChem CID22076450
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate
SMILESCOC(=O)c1c(Nc2ccccn2)cccc1C(N)=O
InChIInChI=1S/C14H13N3O3/c1-20-14(19)12-9(13(15)18)5-4-6-10(12)17-11-7-2-3-8-16-11/h2-8H,1H3,(H2,15,18)(H,16,17)
InChIKeyDKVMNMQXYFBXNE-UHFFFAOYSA-N
XLogP1.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate
CID 70821740
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626518
methyl 2-amino-3-(pyridin-2-ylmethylamino)benzoate
CID 115544524
[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
CID 4063744
bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate
CID 67462750
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
5-phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
methyl 6-(2-aminoanilino)pyridine-3-carboxylate
CID 118017531
2-amino-3-(methylamino)-N-pyridin-2-ylbenzamide
CID 143922347
methyl 2-[[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-methylamino]benzoate
CID 19147040
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate?
The IUPAC name of methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate (CID 22076450) is methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate.
What is the SMILES notation for methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate?
The canonical SMILES for methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate is COC(=O)c1c(Nc2ccccn2)cccc1C(N)=O.
What is the InChIKey of methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate?
The InChIKey is DKVMNMQXYFBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14(19)12-9(13(15)18)5-4-6-10(12)17-11-7-2-3-8-16-11/h2-8H,1H3,(H2,15,18)(H,16,17).
What are the key properties of methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate?
methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate has a molecular weight of 271.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate is sourced from PubChem (CID 22076450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).