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

C14H15N5O2 — CID 66484822

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccncc2C#CCO)n[nH]1
InChIInChI=1S/C14H15N5O2/c1-10-16-13(18-17-10)9-19(2)14(21)12-5-6-15-8-11(12)4-3-7-20/h5-6,8,20H,7,9H2,1-2H3,(H,16,17,18)
InChIKeyWIGHUFRKOSOPNL-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.12
Rot. Bonds3

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

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 66484822) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID66484822
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccncc2C#CCO)n[nH]1
InChIInChI=1S/C14H15N5O2/c1-10-16-13(18-17-10)9-19(2)14(21)12-5-6-15-8-11(12)4-3-7-20/h5-6,8,20H,7,9H2,1-2H3,(H,16,17,18)
InChIKeyWIGHUFRKOSOPNL-UHFFFAOYSA-N
XLogP0.12
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (CID 66484822) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is Cc1nc(CN(C)C(=O)c2ccncc2C#CCO)n[nH]1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is WIGHUFRKOSOPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10-16-13(18-17-10)9-19(2)14(21)12-5-6-15-8-11(12)4-3-7-20/h5-6,8,20H,7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).