N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C15H13N5O3 — CID 75376065

IUPACN-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cccc(-n3cccn3)n2)o1
InChIInChI=1S/C15H13N5O3/c16-14(21)12-6-5-10(23-12)9-17-15(22)11-3-1-4-13(19-11)20-8-2-7-18-20/h1-8H,9H2,(H2,16,21)(H,17,22)
InChIKeySIBRQXSSQBKVDD-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.89
Rot. Bonds5

About N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 75376065) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID75376065
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cccc(-n3cccn3)n2)o1
InChIInChI=1S/C15H13N5O3/c16-14(21)12-6-5-10(23-12)9-17-15(22)11-3-1-4-13(19-11)20-8-2-7-18-20/h1-8H,9H2,(H2,16,21)(H,17,22)
InChIKeySIBRQXSSQBKVDD-UHFFFAOYSA-N
XLogP0.89
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 75376065) is N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is NC(=O)c1ccc(CNC(=O)c2cccc(-n3cccn3)n2)o1.
What is the InChIKey of N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is SIBRQXSSQBKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c16-14(21)12-6-5-10(23-12)9-17-15(22)11-3-1-4-13(19-11)20-8-2-7-18-20/h1-8H,9H2,(H2,16,21)(H,17,22).
What are the key properties of N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-carbamoylfuran-2-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 75376065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).