N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide

C16H12N4O3 — CID 648126

IUPACN-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccnc1
InChIInChI=1S/C16H12N4O3/c21-15(11-3-1-7-17-9-11)19-12-5-6-14(18-10-12)20-16(22)13-4-2-8-23-13/h1-10H,(H,19,21)(H,18,20,22)
InChIKeyDHAKUOJQZTXWNN-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.57
Rot. Bonds4

About N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide

N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 648126) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID648126
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccnc1
InChIInChI=1S/C16H12N4O3/c21-15(11-3-1-7-17-9-11)19-12-5-6-14(18-10-12)20-16(22)13-4-2-8-23-13/h1-10H,(H,19,21)(H,18,20,22)
InChIKeyDHAKUOJQZTXWNN-UHFFFAOYSA-N
XLogP2.57
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide (CID 648126) is N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccnc1.
What is the InChIKey of N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DHAKUOJQZTXWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-15(11-3-1-7-17-9-11)19-12-5-6-14(18-10-12)20-16(22)13-4-2-8-23-13/h1-10H,(H,19,21)(H,18,20,22).
What are the key properties of N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide?
N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-carbonylamino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 648126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).