6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C20H21N3O2S — CID 121177832

IUPAC6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(C)COc1ccc(C(=O)NCc2cccnc2-c2ccsc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-14(2)12-25-18-6-5-16(11-22-18)20(24)23-10-15-4-3-8-21-19(15)17-7-9-26-13-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24)
InChIKeyYWMOGEUAYMKZFO-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.17
Rot. Bonds7

About 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 121177832) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID121177832
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCC(C)COc1ccc(C(=O)NCc2cccnc2-c2ccsc2)cn1
InChIInChI=1S/C20H21N3O2S/c1-14(2)12-25-18-6-5-16(11-22-18)20(24)23-10-15-4-3-8-21-19(15)17-7-9-26-13-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24)
InChIKeyYWMOGEUAYMKZFO-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 122276864
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 121177736
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
2-(4-propan-2-ylphenoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177656
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 121177832) is 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is CC(C)COc1ccc(C(=O)NCc2cccnc2-c2ccsc2)cn1.
What is the InChIKey of 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is YWMOGEUAYMKZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(2)12-25-18-6-5-16(11-22-18)20(24)23-10-15-4-3-8-21-19(15)17-7-9-26-13-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24).
What are the key properties of 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121177832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).