N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

C13H16N4OS — CID 50968047

IUPACN-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C(C)c2nccs2)ccn1
InChIInChI=1S/C13H16N4OS/c1-9(12-16-6-7-19-12)17(3)13(18)10-4-5-15-11(8-10)14-2/h4-9H,1-3H3,(H,14,15)
InChIKeyTYDCZEIWPBXRHG-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 50968047) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID50968047
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C(C)c2nccs2)ccn1
InChIInChI=1S/C13H16N4OS/c1-9(12-16-6-7-19-12)17(3)13(18)10-4-5-15-11(8-10)14-2/h4-9H,1-3H3,(H,14,15)
InChIKeyTYDCZEIWPBXRHG-UHFFFAOYSA-N
XLogP2.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N-cyclopropyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62168437
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 62179572

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 50968047) is N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is CNc1cc(C(=O)N(C)C(C)c2nccs2)ccn1.
What is the InChIKey of N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is TYDCZEIWPBXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(12-16-6-7-19-12)17(3)13(18)10-4-5-15-11(8-10)14-2/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 50968047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).