N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide

C14H14N4O2 — CID 102807001

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C14H14N4O2/c1-10-13(9-18(2)17-10)16-14(20)12-6-11(4-3-5-19)7-15-8-12/h6-9,19H,5H2,1-2H3,(H,16,20)
InChIKeyOMMUIROBDPMQQR-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.72
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide (PubChem CID 102807001) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
PubChem CID102807001
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C14H14N4O2/c1-10-13(9-18(2)17-10)16-14(20)12-6-11(4-3-5-19)7-15-8-12/h6-9,19H,5H2,1-2H3,(H,16,20)
InChIKeyOMMUIROBDPMQQR-UHFFFAOYSA-N
XLogP0.72
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.72
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-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 115991509
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589630
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 107577952
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
CID 63564141
5-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62914339
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
5-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 54974892
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 107578036

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide (CID 102807001) is N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide is Cc1nn(C)cc1NC(=O)c1cncc(C#CCO)c1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
The InChIKey is OMMUIROBDPMQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-13(9-18(2)17-10)16-14(20)12-6-11(4-3-5-19)7-15-8-12/h6-9,19H,5H2,1-2H3,(H,16,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide is sourced from PubChem (CID 102807001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).