2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid

C12H16ClN3O3 — CID 63379944

IUPAC2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H16ClN3O3/c1-7(2)5-16(6-10(14)17)11-8(12(18)19)3-4-9(13)15-11/h3-4,7H,5-6H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeyFQYUWDQTSRVXRA-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.38
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid

2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid (PubChem CID 63379944) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
PubChem CID63379944
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H16ClN3O3/c1-7(2)5-16(6-10(14)17)11-8(12(18)19)3-4-9(13)15-11/h3-4,7H,5-6H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeyFQYUWDQTSRVXRA-UHFFFAOYSA-N
XLogP1.38
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785
2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750804
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 103321215
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702018
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
2-[(2-hydrazinylquinazolin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901636
6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55183616
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid (CID 63379944) is 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid is CC(C)CN(CC(N)=O)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid?
The InChIKey is FQYUWDQTSRVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-7(2)5-16(6-10(14)17)11-8(12(18)19)3-4-9(13)15-11/h3-4,7H,5-6H2,1-2H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid?
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 63379944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).