5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid

C12H17ClN2O2 — CID 106329975

IUPAC5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
SMILESCCC(C)(CC)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-4-12(3,5-2)15-10-6-8(11(16)17)9(13)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyVMGRACZYAHAXJN-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.42
Rot. Bonds5

About 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid

5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid (PubChem CID 106329975) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
PubChem CID106329975
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
SMILESCCC(C)(CC)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H17ClN2O2/c1-4-12(3,5-2)15-10-6-8(11(16)17)9(13)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyVMGRACZYAHAXJN-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
CID 114919822
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
CID 114919669
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid (CID 106329975) is 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid is CCC(C)(CC)Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
The InChIKey is VMGRACZYAHAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-12(3,5-2)15-10-6-8(11(16)17)9(13)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid?
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106329975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).