3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide

C16H15N3O2 — CID 107521173

IUPAC3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccnc1NC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C16H15N3O2/c1-12-6-4-10-18-15(12)19-16(21)14-13(7-2-3-11-20)8-5-9-17-14/h4-6,8-10,20H,3,11H2,1H3,(H,18,19,21)
InChIKeyVWOGMVZBMMEDCA-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.77
Rot. Bonds3

About 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 107521173) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID107521173
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cccnc1NC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C16H15N3O2/c1-12-6-4-10-18-15(12)19-16(21)14-13(7-2-3-11-20)8-5-9-17-14/h4-6,8-10,20H,3,11H2,1H3,(H,18,19,21)
InChIKeyVWOGMVZBMMEDCA-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
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-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107522429
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
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
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 55239746
3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
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
N-(furan-3-ylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523249
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-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 107521173) is 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cccnc1NC(=O)c1ncccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is VWOGMVZBMMEDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-6-4-10-18-15(12)19-16(21)14-13(7-2-3-11-20)8-5-9-17-14/h4-6,8-10,20H,3,11H2,1H3,(H,18,19,21).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 107521173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).