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

C14H15N5O2 — CID 107522205

IUPAC3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1cnnc1CNC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C14H15N5O2/c1-19-10-17-18-12(19)9-16-14(21)13-11(5-2-3-8-20)6-4-7-15-13/h4,6-7,10,20H,3,8-9H2,1H3,(H,16,21)
InChIKeyYZAJOIDBHBVOMS-UHFFFAOYSA-N
MW285.31 g/mol
LogP-0.13
Rot. Bonds4

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

3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 107522205) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID107522205
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1cnnc1CNC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C14H15N5O2/c1-19-10-17-18-12(19)9-16-14(21)13-11(5-2-3-8-20)6-4-7-15-13/h4,6-7,10,20H,3,8-9H2,1H3,(H,16,21)
InChIKeyYZAJOIDBHBVOMS-UHFFFAOYSA-N
XLogP-0.13
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 107524399
N-(furan-3-ylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523249
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106304018
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(4-hydroxybut-1-ynyl)-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107522429
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55218411

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (CID 107522205) is 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is Cn1cnnc1CNC(=O)c1ncccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is YZAJOIDBHBVOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-19-10-17-18-12(19)9-16-14(21)13-11(5-2-3-8-20)6-4-7-15-13/h4,6-7,10,20H,3,8-9H2,1H3,(H,16,21).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107522205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).