6-[(4-methyl-2-pyridinyl)amino]hexanoic acid

C12H18N2O2 — CID 18518012

IUPAC6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
SMILESCc1ccnc(NCCCCCC(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-10-6-8-14-11(9-10)13-7-4-2-3-5-12(15)16/h6,8-9H,2-5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyYZAIZQDCXAFNPD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.45
Rot. Bonds7

About 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid

6-[(4-methyl-2-pyridinyl)amino]hexanoic acid (PubChem CID 18518012) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
PubChem CID18518012
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
SMILESCc1ccnc(NCCCCCC(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-10-6-8-14-11(9-10)13-7-4-2-3-5-12(15)16/h6,8-9H,2-5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyYZAIZQDCXAFNPD-UHFFFAOYSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
CID 162756422
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
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
CID 114987459
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid (CID 18518012) is 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid is Cc1ccnc(NCCCCCC(=O)O)c1.
What is the InChIKey of 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid?
The InChIKey is YZAIZQDCXAFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-6-8-14-11(9-10)13-7-4-2-3-5-12(15)16/h6,8-9H,2-5,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid?
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-2-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 18518012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).