N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide

C13H16N4OS — CID 105068083

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H16N4OS/c1-3-5-15-11-7-14-6-4-10(11)12(18)17-13-16-9(2)8-19-13/h4,6-8,15H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyITSOFQJAEQUGKK-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.92
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105068083) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105068083
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C13H16N4OS/c1-3-5-15-11-7-14-6-4-10(11)12(18)17-13-16-9(2)8-19-13/h4,6-8,15H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyITSOFQJAEQUGKK-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069328
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105071358
N-(4,6-dimethylpyrimidin-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81239346
3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069218
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-4-carboxamide
CID 105071707
N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069309
N-(2-propan-2-ylpyrazol-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105067928
N-(2-methoxyphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105067884
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide (CID 105068083) is N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)Nc1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is ITSOFQJAEQUGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-5-15-11-7-14-6-4-10(11)12(18)17-13-16-9(2)8-19-13/h4,6-8,15H,3,5H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).