5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid

C14H21ClN2O2 — CID 102906562

IUPAC5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)C(CNc1cc(C(=O)O)c(Cl)cn1)C(C)C
InChIInChI=1S/C14H21ClN2O2/c1-8(2)11(9(3)4)6-16-13-5-10(14(18)19)12(15)7-17-13/h5,7-9,11H,6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyCOMBFNWTQIEWPW-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.77
Rot. Bonds6

About 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid (PubChem CID 102906562) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
PubChem CID102906562
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)C(CNc1cc(C(=O)O)c(Cl)cn1)C(C)C
InChIInChI=1S/C14H21ClN2O2/c1-8(2)11(9(3)4)6-16-13-5-10(14(18)19)12(15)7-17-13/h5,7-9,11H,6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyCOMBFNWTQIEWPW-UHFFFAOYSA-N
XLogP3.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 114919676
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114919973
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114125776
5-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]pyridine-4-carboxylic acid
CID 114919669
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid (CID 102906562) is 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid is CC(C)C(CNc1cc(C(=O)O)c(Cl)cn1)C(C)C.
What is the InChIKey of 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid?
The InChIKey is COMBFNWTQIEWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-8(2)11(9(3)4)6-16-13-5-10(14(18)19)12(15)7-17-13/h5,7-9,11H,6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid has a molecular weight of 284.79 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 102906562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).