6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide

C13H21N3OS — CID 63963593

IUPAC6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCC(C)CSC)cn1
InChIInChI=1S/C13H21N3OS/c1-4-14-12-6-5-11(8-15-12)13(17)16-7-10(2)9-18-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyJGNBIDPJAMLRDK-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.24
Rot. Bonds7

About 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide

6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 63963593) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID63963593
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCC(C)CSC)cn1
InChIInChI=1S/C13H21N3OS/c1-4-14-12-6-5-11(8-15-12)13(17)16-7-10(2)9-18-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyJGNBIDPJAMLRDK-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 60732249
6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
CID 133311932
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62177054
4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63961042
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62337035
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
3-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63963591
N-[2-(dimethylamino)propyl]-6-(methylamino)pyridine-3-carboxamide
CID 62175314
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62165858
N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 64583359

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide (CID 63963593) is 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide is CCNc1ccc(C(=O)NCC(C)CSC)cn1.
What is the InChIKey of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is JGNBIDPJAMLRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-14-12-6-5-11(8-15-12)13(17)16-7-10(2)9-18-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 63963593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).