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

C14H13N3O2S — CID 62958804

IUPAC5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(CNC(=O)c2ccc(C#CCO)cn2)cs1
InChIInChI=1S/C14H13N3O2S/c1-10-17-12(9-20-10)8-16-14(19)13-5-4-11(7-15-13)3-2-6-18/h4-5,7,9,18H,6,8H2,1H3,(H,16,19)
InChIKeyOVCINQZLTMTBCQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.12
Rot. Bonds3

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

5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 62958804) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID62958804
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc(CNC(=O)c2ccc(C#CCO)cn2)cs1
InChIInChI=1S/C14H13N3O2S/c1-10-17-12(9-20-10)8-16-14(19)13-5-4-11(7-15-13)3-2-6-18/h4-5,7,9,18H,6,8H2,1H3,(H,16,19)
InChIKeyOVCINQZLTMTBCQ-UHFFFAOYSA-N
XLogP1.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
5-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62959335
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 79230873
5-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 62959360
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64525937
5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62957931
N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960401
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62960072
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62174780

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide (CID 62958804) is 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is Cc1nc(CNC(=O)c2ccc(C#CCO)cn2)cs1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is OVCINQZLTMTBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-17-12(9-20-10)8-16-14(19)13-5-4-11(7-15-13)3-2-6-18/h4-5,7,9,18H,6,8H2,1H3,(H,16,19).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62958804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).