N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide

C15H14N2O3 — CID 107521533

IUPACN-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccoc1)C(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H14N2O3/c1-17(10-12-6-9-20-11-12)15(19)14-13(5-3-8-18)4-2-7-16-14/h2,4,6-7,9,11,18H,8,10H2,1H3
InChIKeyUFHSRAHPJRGYMY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.29
Rot. Bonds3

About N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide

N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (PubChem CID 107521533) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
PubChem CID107521533
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccoc1)C(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H14N2O3/c1-17(10-12-6-9-20-11-12)15(19)14-13(5-3-8-18)4-2-7-16-14/h2,4,6-7,9,11,18H,8,10H2,1H3
InChIKeyUFHSRAHPJRGYMY-UHFFFAOYSA-N
XLogP1.29
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 61422868
N-(2,2-difluoroethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523217
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 107521925
N-(furan-3-ylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523249
N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523154
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521621
N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107521941
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107522163
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 107521425
3-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 107524500
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523358

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (CID 107521533) is N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is CN(Cc1ccoc1)C(=O)c1ncccc1C#CCO.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The InChIKey is UFHSRAHPJRGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(10-12-6-9-20-11-12)15(19)14-13(5-3-8-18)4-2-7-16-14/h2,4,6-7,9,11,18H,8,10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107521533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).