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

C14H17N3O2S — CID 118796056

IUPAC4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
SMILESCc1csc(CCCNC(=O)c2cc(CO)ccn2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-13(17-10)3-2-5-16-14(19)12-7-11(8-18)4-6-15-12/h4,6-7,9,18H,2-3,5,8H2,1H3,(H,16,19)
InChIKeyFPBNOUSQSMLXQI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.70
Rot. Bonds6

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

4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide (PubChem CID 118796056) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
PubChem CID118796056
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
SMILESCc1csc(CCCNC(=O)c2cc(CO)ccn2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-13(17-10)3-2-5-16-14(19)12-7-11(8-18)4-6-15-12/h4,6-7,9,18H,2-3,5,8H2,1H3,(H,16,19)
InChIKeyFPBNOUSQSMLXQI-UHFFFAOYSA-N
XLogP1.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70770649
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
5-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 104641287
3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 119875329

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide (CID 118796056) is 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide is Cc1csc(CCCNC(=O)c2cc(CO)ccn2)n1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
The InChIKey is FPBNOUSQSMLXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-20-13(17-10)3-2-5-16-14(19)12-7-11(8-18)4-6-15-12/h4,6-7,9,18H,2-3,5,8H2,1H3,(H,16,19).
What are the key properties of 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide?
4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 118796056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).