methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate

C13H19ClN2O2 — CID 24806876

IUPACmethyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
SMILESCCC(CC)Nc1cc(C)nc(Cl)c1C(=O)OC
InChIInChI=1S/C13H19ClN2O2/c1-5-9(6-2)16-10-7-8(3)15-12(14)11(10)13(17)18-4/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyUOCYHMFGIGNJFT-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.43
Rot. Bonds5

About methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate

methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate (PubChem CID 24806876) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
PubChem CID24806876
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Namemethyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
SMILESCCC(CC)Nc1cc(C)nc(Cl)c1C(=O)OC
InChIInChI=1S/C13H19ClN2O2/c1-5-9(6-2)16-10-7-8(3)15-12(14)11(10)13(17)18-4/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyUOCYHMFGIGNJFT-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-6-methyl-4-pentan-3-yloxypyridine-3-carboxylate
CID 24806871
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
ethyl 6-methyl-4-(pentan-3-ylamino)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 154682760
2-(4-chloro-2-methoxyphenoxy)-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylic acid
CID 141037315
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911
methyl 4-chloro-3-(pentan-3-ylamino)benzoate
CID 43714787
methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate
CID 66285830
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510797
6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
CID 130497605
methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
CID 123968717
ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134684738
dimethyl 5-amino-3-[(2-chloro-4,6-dimethylpyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 8510950

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate (CID 24806876) is methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate is CCC(CC)Nc1cc(C)nc(Cl)c1C(=O)OC.
What is the InChIKey of methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate?
The InChIKey is UOCYHMFGIGNJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-5-9(6-2)16-10-7-8(3)15-12(14)11(10)13(17)18-4/h7,9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate?
methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate has a molecular weight of 270.76 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 24806876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).