methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate

C15H21ClN2O3 — CID 62232755

IUPACmethyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C15H21ClN2O3/c1-4-11(5-2)9-18(10-14(19)21-3)15(20)12-7-6-8-13(16)17-12/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyDOWLLBLWFRNCMH-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.79
Rot. Bonds7

About methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate

methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate (PubChem CID 62232755) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
PubChem CID62232755
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C15H21ClN2O3/c1-4-11(5-2)9-18(10-14(19)21-3)15(20)12-7-6-8-13(16)17-12/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyDOWLLBLWFRNCMH-UHFFFAOYSA-N
XLogP2.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.79
H-Bond Donors ≤ 50
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-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
CID 63047684
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 55052683
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyridine-2-carboxamide
CID 55051171
methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957148
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 115772722
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 79987712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate?
The IUPAC name of methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate (CID 62232755) is methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)c1cccc(Cl)n1.
What is the InChIKey of methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate?
The InChIKey is DOWLLBLWFRNCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-4-11(5-2)9-18(10-14(19)21-3)15(20)12-7-6-8-13(16)17-12/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate?
methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate has a molecular weight of 312.80 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate is sourced from PubChem (CID 62232755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).