3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide

C15H16N4O2 — CID 106217757

IUPAC3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1C#CCCO)c1cn[nH]c1
InChIInChI=1S/C15H16N4O2/c1-11(13-9-17-18-10-13)19-15(21)14-12(5-2-3-8-20)6-4-7-16-14/h4,6-7,9-11,20H,3,8H2,1H3,(H,17,18)(H,19,21)
InChIKeyAQSPDMRQIWFVJR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.03
Rot. Bonds4

About 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 106217757) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID106217757
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1C#CCCO)c1cn[nH]c1
InChIInChI=1S/C15H16N4O2/c1-11(13-9-17-18-10-13)19-15(21)14-12(5-2-3-8-20)6-4-7-16-14/h4,6-7,9-11,20H,3,8H2,1H3,(H,17,18)(H,19,21)
InChIKeyAQSPDMRQIWFVJR-UHFFFAOYSA-N
XLogP1.03
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217781
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(4-hydroxybut-1-ynyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283690
3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 107522205

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide (CID 106217757) is 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ncccc1C#CCCO)c1cn[nH]c1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is AQSPDMRQIWFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(13-9-17-18-10-13)19-15(21)14-12(5-2-3-8-20)6-4-7-16-14/h4,6-7,9-11,20H,3,8H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).