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

C12H18N2O2 — CID 162756210

IUPACmethyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
SMILESCOC(=O)CCCCNc1cc(C)ccn1
InChIInChI=1S/C12H18N2O2/c1-10-6-8-14-11(9-10)13-7-4-3-5-12(15)16-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyGGQXCQIGYRRYML-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.15
Rot. Bonds6

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

methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate (PubChem CID 162756210) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
PubChem CID162756210
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
SMILESCOC(=O)CCCCNc1cc(C)ccn1
InChIInChI=1S/C12H18N2O2/c1-10-6-8-14-11(9-10)13-7-4-3-5-12(15)16-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyGGQXCQIGYRRYML-UHFFFAOYSA-N
XLogP2.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.15
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

methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
CID 162756339
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
CID 162756422
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
3-(4-bromophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid
CID 10696433
triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
CID 160709638

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate?
The IUPAC name of methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate (CID 162756210) is methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate.
What is the SMILES notation for methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate?
The canonical SMILES for methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate is COC(=O)CCCCNc1cc(C)ccn1.
What is the InChIKey of methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate?
The InChIKey is GGQXCQIGYRRYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-6-8-14-11(9-10)13-7-4-3-5-12(15)16-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate?
methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate has a molecular weight of 222.29 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate is sourced from PubChem (CID 162756210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).