5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide

C13H15ClN4OS — CID 114923771

IUPAC5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(NC)ncc1Cl)c1nccs1
InChIInChI=1S/C13H15ClN4OS/c1-3-10(13-16-4-5-20-13)18-12(19)8-6-11(15-2)17-7-9(8)14/h4-7,10H,3H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyJQAABAMUFXVYOM-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.11
Rot. Bonds5

About 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (PubChem CID 114923771) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
PubChem CID114923771
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCCC(NC(=O)c1cc(NC)ncc1Cl)c1nccs1
InChIInChI=1S/C13H15ClN4OS/c1-3-10(13-16-4-5-20-13)18-12(19)8-6-11(15-2)17-7-9(8)14/h4-7,10H,3H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyJQAABAMUFXVYOM-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923773
5-chloro-2-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114921694
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 72841018
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229
5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 103296531
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923758

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (CID 114923771) is 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is CCC(NC(=O)c1cc(NC)ncc1Cl)c1nccs1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The InChIKey is JQAABAMUFXVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-3-10(13-16-4-5-20-13)18-12(19)8-6-11(15-2)17-7-9(8)14/h4-7,10H,3H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).