5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide

C14H17BrN4OS — CID 62174433

IUPAC5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCc1csc(C)n1
InChIInChI=1S/C14H17BrN4OS/c1-3-4-16-13-12(5-10(15)6-17-13)14(20)18-7-11-8-21-9(2)19-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyKJCDAUZTOYTIQR-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.36
Rot. Bonds6

About 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide

5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62174433) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID62174433
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(Br)cc1C(=O)NCc1csc(C)n1
InChIInChI=1S/C14H17BrN4OS/c1-3-4-16-13-12(5-10(15)6-17-13)14(20)18-7-11-8-21-9(2)19-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyKJCDAUZTOYTIQR-UHFFFAOYSA-N
XLogP3.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539
5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 62178513
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62169185
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240490
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-(3-ethylpentan-3-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65042966
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62174606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide (CID 62174433) is 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(Br)cc1C(=O)NCc1csc(C)n1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is KJCDAUZTOYTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-3-4-16-13-12(5-10(15)6-17-13)14(20)18-7-11-8-21-9(2)19-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62174433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).