N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide

C18H14N4O2 — CID 693631

IUPACN-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1
InChIInChI=1S/C18H14N4O2/c23-17(13-4-2-8-19-11-13)21-15-6-1-7-16(10-15)22-18(24)14-5-3-9-20-12-14/h1-12H,(H,21,23)(H,22,24)
InChIKeyNZBFSUJHMGEYLV-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.98
Rot. Bonds4

About N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide

N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 693631) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
PubChem CID693631
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1
InChIInChI=1S/C18H14N4O2/c23-17(13-4-2-8-19-11-13)21-15-6-1-7-16(10-15)22-18(24)14-5-3-9-20-12-14/h1-12H,(H,21,23)(H,22,24)
InChIKeyNZBFSUJHMGEYLV-UHFFFAOYSA-N
XLogP2.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide (CID 693631) is N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1.
What is the InChIKey of N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is NZBFSUJHMGEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(13-4-2-8-19-11-13)21-15-6-1-7-16(10-15)22-18(24)14-5-3-9-20-12-14/h1-12H,(H,21,23)(H,22,24).
What are the key properties of N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide?
N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 693631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).