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

C14H17N3OS — CID 118762993

IUPAC3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCc1csc(CCCNC(=O)c2ccncc2C)n1
InChIInChI=1S/C14H17N3OS/c1-10-8-15-7-5-12(10)14(18)16-6-3-4-13-17-11(2)9-19-13/h5,7-9H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyPJMKYEMVDJXPAE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.52
Rot. Bonds5

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

3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (PubChem CID 118762993) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
PubChem CID118762993
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
SMILESCc1csc(CCCNC(=O)c2ccncc2C)n1
InChIInChI=1S/C14H17N3OS/c1-10-8-15-7-5-12(10)14(18)16-6-3-4-13-17-11(2)9-19-13/h5,7-9H,3-4,6H2,1-2H3,(H,16,18)
InChIKeyPJMKYEMVDJXPAE-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702374
4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 118796056
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxochromene-3-carboxamide
CID 110440714
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244563
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 118791144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide (CID 118762993) is 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is Cc1csc(CCCNC(=O)c2ccncc2C)n1.
What is the InChIKey of 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
The InChIKey is PJMKYEMVDJXPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-8-15-7-5-12(10)14(18)16-6-3-4-13-17-11(2)9-19-13/h5,7-9H,3-4,6H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide?
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 118762993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).