methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate

C13H17ClN2O3 — CID 103871236

IUPACmethyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-19-12(17)5-3-2-4-7-16-13(18)10-9-15-8-6-11(10)14/h6,8-9H,2-5,7H2,1H3,(H,16,18)
InChIKeyPJSGZTOTFCSRNN-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.20
Rot. Bonds7

About methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate

methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate (PubChem CID 103871236) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
PubChem CID103871236
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-19-12(17)5-3-2-4-7-16-13(18)10-9-15-8-6-11(10)14/h6,8-9H,2-5,7H2,1H3,(H,16,18)
InChIKeyPJSGZTOTFCSRNN-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
CID 104927006
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate (CID 103871236) is methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cnccc1Cl.
What is the InChIKey of methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate?
The InChIKey is PJSGZTOTFCSRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-12(17)5-3-2-4-7-16-13(18)10-9-15-8-6-11(10)14/h6,8-9H,2-5,7H2,1H3,(H,16,18).
What are the key properties of methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate has a molecular weight of 284.74 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 103871236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).