N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride

C15H22Cl2N4O2S — CID 120828272

IUPACN-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cccnc1SCc1cc(C)on1.Cl.Cl
InChIInChI=1S/C15H20N4O2S.2ClH/c1-10(16-3)8-18-14(20)13-5-4-6-17-15(13)22-9-12-7-11(2)21-19-12;;/h4-7,10,16H,8-9H2,1-3H3,(H,18,20);2*1H
InChIKeyUKEZBQZFSICDOD-UHFFFAOYSA-N
MW393.34 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride

N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120828272) has the molecular formula C15H22Cl2N4O2S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120828272
Molecular FormulaC15H22Cl2N4O2S
Molecular Weight393.34 g/mol
Exact Mass392.08
IUPAC NameN-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cccnc1SCc1cc(C)on1.Cl.Cl
InChIInChI=1S/C15H20N4O2S.2ClH/c1-10(16-3)8-18-14(20)13-5-4-6-17-15(13)22-9-12-7-11(2)21-19-12;;/h4-7,10,16H,8-9H2,1-3H3,(H,18,20);2*1H
InChIKeyUKEZBQZFSICDOD-UHFFFAOYSA-N
XLogP2.85
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 55549254
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
CID 33158106
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 47044077
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 40844596
N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 47041344
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55887538
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8836516
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride (CID 120828272) is N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cccnc1SCc1cc(C)on1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is UKEZBQZFSICDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.2ClH/c1-10(16-3)8-18-14(20)13-5-4-6-17-15(13)22-9-12-7-11(2)21-19-12;;/h4-7,10,16H,8-9H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 393.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120828272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).