methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate

C11H15ClN2O2 — CID 162756339

IUPACmethyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
SMILESCOC(=O)CCCCNc1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O2/c1-16-11(15)4-2-3-6-13-10-8-9(12)5-7-14-10/h5,7-8H,2-4,6H2,1H3,(H,13,14)
InChIKeyHNVWASSQBOUIPL-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.49
Rot. Bonds6

About methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate

methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate (PubChem CID 162756339) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
PubChem CID162756339
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Namemethyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
SMILESCOC(=O)CCCCNc1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2O2/c1-16-11(15)4-2-3-6-13-10-8-9(12)5-7-14-10/h5,7-8H,2-4,6H2,1H3,(H,13,14)
InChIKeyHNVWASSQBOUIPL-UHFFFAOYSA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486
methyl 2-[(4-chloro-2-pyridinyl)methylsulfanyl]acetate
CID 79245815
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
CID 62734562
N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
CID 123816507
methyl 6-[(5-bromoisoquinolin-1-yl)amino]hexanoate
CID 106541889
methyl 6-(quinolin-4-ylamino)hexanoate
CID 62005474
methyl 6-[(5-chloro-2-methoxypyrimidin-4-yl)amino]hexanoate
CID 80753174
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate?
The IUPAC name of methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate (CID 162756339) is methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate.
What is the SMILES notation for methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate?
The canonical SMILES for methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate is COC(=O)CCCCNc1cc(Cl)ccn1.
What is the InChIKey of methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate?
The InChIKey is HNVWASSQBOUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-11(15)4-2-3-6-13-10-8-9(12)5-7-14-10/h5,7-8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate?
methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate has a molecular weight of 242.71 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate is sourced from PubChem (CID 162756339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).