methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate

C12H15ClN2O3 — CID 61051558

IUPACmethyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-8(12(17)18-3)7-15(2)11(16)9-5-4-6-14-10(9)13/h4-6,8H,7H2,1-3H3
InChIKeyYEVRIEFOKYLUHZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.62
Rot. Bonds4

About methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 61051558) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID61051558
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Namemethyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-8(12(17)18-3)7-15(2)11(16)9-5-4-6-14-10(9)13/h4-6,8H,7H2,1-3H3
InChIKeyYEVRIEFOKYLUHZ-UHFFFAOYSA-N
XLogP1.62
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.62
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

2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
methyl 3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61046465
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate (CID 61051558) is methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1cccnc1Cl.
What is the InChIKey of methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is YEVRIEFOKYLUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(12(17)18-3)7-15(2)11(16)9-5-4-6-14-10(9)13/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 270.72 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 61051558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).