2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

C15H25N3O2 — CID 62702018

IUPAC2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18(9-8-17(4)5)14-13(15(19)20)7-6-12(3)16-14/h6-7,11H,8-10H2,1-5H3,(H,19,20)
InChIKeyKUGJMPPFUNKOJF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid

2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 62702018) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID62702018
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(CCN(C)C)CC(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18(9-8-17(4)5)14-13(15(19)20)7-6-12(3)16-14/h6-7,11H,8-10H2,1-5H3,(H,19,20)
InChIKeyKUGJMPPFUNKOJF-UHFFFAOYSA-N
XLogP2.11
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 62701818
6-methyl-2-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 62702882
3-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062353
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzoic acid
CID 104500469
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluorobenzoic acid
CID 107540166
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036735
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
6-methyl-2-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 55107851
2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702835
6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62701330
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80788749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid (CID 62702018) is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N(CCN(C)C)CC(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is KUGJMPPFUNKOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-18(9-8-17(4)5)14-13(15(19)20)7-6-12(3)16-14/h6-7,11H,8-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid?
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62702018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).