6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid

C14H12N2O4 — CID 63643408

IUPAC6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)OCc1ccccc1
InChIInChI=1S/C14H12N2O4/c17-13(18)11-7-4-8-12(15-11)16-14(19)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,15,16,19)
InChIKeyDIZCEJIWNYBJQP-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.53
Rot. Bonds4

About 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid

6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid (PubChem CID 63643408) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
PubChem CID63643408
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)OCc1ccccc1
InChIInChI=1S/C14H12N2O4/c17-13(18)11-7-4-8-12(15-11)16-14(19)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,15,16,19)
InChIKeyDIZCEJIWNYBJQP-UHFFFAOYSA-N
XLogP2.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
CID 121232006
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
CID 70701214
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899
5-bromo-2-(phenylmethoxycarbonylamino)pyrimidine-4-carboxylic acid
CID 167740348
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
benzyl N-(6-chloro-2-cyclononylpyrimidin-4-yl)carbamate
CID 139393302

Frequently Asked Questions

What is the IUPAC name of 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid (CID 63643408) is 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid is O=C(Nc1cccc(C(=O)O)n1)OCc1ccccc1.
What is the InChIKey of 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid?
The InChIKey is DIZCEJIWNYBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13(18)11-7-4-8-12(15-11)16-14(19)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,15,16,19).
What are the key properties of 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid?
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63643408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).