4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid

C10H12N2O4 — CID 143011020

IUPAC4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
SMILESCC(C)OC(=O)Nc1ccncc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6(2)16-10(15)12-8-3-4-11-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyZGKFKMYVIPPDRA-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.74
Rot. Bonds3

About 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid

4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid (PubChem CID 143011020) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
PubChem CID143011020
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
SMILESCC(C)OC(=O)Nc1ccncc1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6(2)16-10(15)12-8-3-4-11-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyZGKFKMYVIPPDRA-UHFFFAOYSA-N
XLogP1.74
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-[1-(diethylamino)propan-2-ylamino]pyridine-3-carboxylic acid
CID 81243719
3-acetylpyridine-4-carboxylic acid
CID 19902844
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
tert-butyl N-[3-(methylcarbamoyl)-4-pyridinyl]carbamate
CID 58835250

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid (CID 143011020) is 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid is CC(C)OC(=O)Nc1ccncc1C(=O)O.
What is the InChIKey of 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid?
The InChIKey is ZGKFKMYVIPPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(2)16-10(15)12-8-3-4-11-5-7(8)9(13)14/h3-6H,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid?
4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 143011020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).