6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid

C17H19N3O4 — CID 53229690

IUPAC6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)19-11-6-4-5-10(9-11)12-7-8-13(18)20-14(12)15(21)22/h4-9H,1-3H3,(H2,18,20)(H,19,23)(H,21,22)
InChIKeyQCYZWCHEVQYQRO-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.38
Rot. Bonds3

About 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid

6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid (PubChem CID 53229690) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
PubChem CID53229690
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)19-11-6-4-5-10(9-11)12-7-8-13(18)20-14(12)15(21)22/h4-9H,1-3H3,(H2,18,20)(H,19,23)(H,21,22)
InChIKeyQCYZWCHEVQYQRO-UHFFFAOYSA-N
XLogP3.38
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
CID 117465942
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
2-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228867
5-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53228883
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
tert-butyl N-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]carbamate
CID 117465922
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53229349
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
CID 7176355

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid (CID 53229690) is 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1cccc(-c2ccc(N)nc2C(=O)O)c1.
What is the InChIKey of 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
The InChIKey is QCYZWCHEVQYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)19-11-6-4-5-10(9-11)12-7-8-13(18)20-14(12)15(21)22/h4-9H,1-3H3,(H2,18,20)(H,19,23)(H,21,22).
What are the key properties of 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53229690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).