2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid

C20H27N3O2S — CID 134696023

IUPAC2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(N(C)CCN(C)C3CCCC3)n2)s1
InChIInChI=1S/C20H27N3O2S/c1-14-8-11-18(26-14)17-10-9-16(20(24)25)19(21-17)23(3)13-12-22(2)15-6-4-5-7-15/h8-11,15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKeyMCWXMPHDYXLESZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.13
Rot. Bonds7

About 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid

2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid (PubChem CID 134696023) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
PubChem CID134696023
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(N(C)CCN(C)C3CCCC3)n2)s1
InChIInChI=1S/C20H27N3O2S/c1-14-8-11-18(26-14)17-10-9-16(20(24)25)19(21-17)23(3)13-12-22(2)15-6-4-5-7-15/h8-11,15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKeyMCWXMPHDYXLESZ-UHFFFAOYSA-N
XLogP4.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 116533656
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
4-[2-[cyclopentyl(methyl)amino]ethylamino]-2,3-difluorobenzoic acid
CID 79834906
N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 133274109
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
4-tert-butyl-2-[2-[cyclohexyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227575
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 134714748
2-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 97148782

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid (CID 134696023) is 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(N(C)CCN(C)C3CCCC3)n2)s1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
The InChIKey is MCWXMPHDYXLESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-8-11-18(26-14)17-10-9-16(20(24)25)19(21-17)23(3)13-12-22(2)15-6-4-5-7-15/h8-11,15H,4-7,12-13H2,1-3H3,(H,24,25).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid?
2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid has a molecular weight of 373.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134696023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).