3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid

C12H16ClN3O3 — CID 113407809

IUPAC3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)C(C)Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H16ClN3O3/c1-6(2)14-11(17)7(3)15-9-5-4-8(13)10(16-9)12(18)19/h4-7H,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyUAHCNAYFRPIVTH-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.76
Rot. Bonds5

About 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid

3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 113407809) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID113407809
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)C(C)Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H16ClN3O3/c1-6(2)14-11(17)7(3)15-9-5-4-8(13)10(16-9)12(18)19/h4-7H,1-3H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyUAHCNAYFRPIVTH-UHFFFAOYSA-N
XLogP1.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61477469
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
(2R)-2-[(2,6-dichloro-3-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 118608342
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3-chloro-6-(piperidin-1-ylamino)pyridine-2-carboxylic acid
CID 83016199
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
3-chloro-6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid (CID 113407809) is 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid is CC(C)NC(=O)C(C)Nc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is UAHCNAYFRPIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-6(2)14-11(17)7(3)15-9-5-4-8(13)10(16-9)12(18)19/h4-7H,1-3H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid?
3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113407809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).