5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide

C14H11ClN2O3 — CID 60804070

IUPAC5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C#CCCO)n1)c1ccc(Cl)o1
InChIInChI=1S/C14H11ClN2O3/c15-12-8-7-11(20-12)14(19)17-13-6-3-5-10(16-13)4-1-2-9-18/h3,5-8,18H,2,9H2,(H,16,17,19)
InChIKeyYBDITWADOACMIX-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.31
Rot. Bonds3

About 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide

5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide (PubChem CID 60804070) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide
PubChem CID60804070
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C#CCCO)n1)c1ccc(Cl)o1
InChIInChI=1S/C14H11ClN2O3/c15-12-8-7-11(20-12)14(19)17-13-6-3-5-10(16-13)4-1-2-9-18/h3,5-8,18H,2,9H2,(H,16,17,19)
InChIKeyYBDITWADOACMIX-UHFFFAOYSA-N
XLogP2.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.31
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

4,5-dichloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1H-pyrrole-2-carboxamide
CID 60804249
5-ethyl-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 79096364
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 103121241
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
CID 60804555
1-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-propan-2-ylurea
CID 60812722
1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
CID 62699691
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 106828195
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]piperidine-1-carboxamide
CID 79155648
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 83137597
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
CID 62276510

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide (CID 60804070) is 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1cccc(C#CCCO)n1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is YBDITWADOACMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-12-8-7-11(20-12)14(19)17-13-6-3-5-10(16-13)4-1-2-9-18/h3,5-8,18H,2,9H2,(H,16,17,19).
What are the key properties of 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide?
5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 60804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).