N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C15H14N2O3 — CID 62959712

IUPACN-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccco1)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H14N2O3/c18-9-1-3-12-5-6-14(17-11-12)15(19)16-8-7-13-4-2-10-20-13/h2,4-6,10-11,18H,7-9H2,(H,16,19)
InChIKeyKWGSNGOPIWCLBW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.99
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 62959712) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID62959712
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccco1)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H14N2O3/c18-9-1-3-12-5-6-14(17-11-12)15(19)16-8-7-13-4-2-10-20-13/h2,4-6,10-11,18H,7-9H2,(H,16,19)
InChIKeyKWGSNGOPIWCLBW-UHFFFAOYSA-N
XLogP0.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.99
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

N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
5-chloro-N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107236571
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460232
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 106342097
N-[2-(furan-2-yl)ethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112689
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64525937
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 79230873

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 62959712) is N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is O=C(NCCc1ccco1)c1ccc(C#CCO)cn1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is KWGSNGOPIWCLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-9-1-3-12-5-6-14(17-11-12)15(19)16-8-7-13-4-2-10-20-13/h2,4-6,10-11,18H,7-9H2,(H,16,19).
What are the key properties of N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62959712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).