N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide

C20H15N5O — CID 67188011

IUPACN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)c1ccccn1
InChIInChI=1S/C20H15N5O/c26-20(18-6-1-2-9-22-18)24-16-5-3-4-15(12-16)19-17(13-23-25-19)14-7-10-21-11-8-14/h1-13H,(H,23,25)(H,24,26)
InChIKeyAXBNVCCJEPWWMM-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.79
Rot. Bonds4

About N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide

N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 67188011) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID67188011
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC NameN-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)c1ccccn1
InChIInChI=1S/C20H15N5O/c26-20(18-6-1-2-9-22-18)24-16-5-3-4-15(12-16)19-17(13-23-25-19)14-7-10-21-11-8-14/h1-13H,(H,23,25)(H,24,26)
InChIKeyAXBNVCCJEPWWMM-UHFFFAOYSA-N
XLogP3.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide (CID 67188011) is N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2[nH]ncc2-c2ccncc2)c1)c1ccccn1.
What is the InChIKey of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is AXBNVCCJEPWWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-20(18-6-1-2-9-22-18)24-16-5-3-4-15(12-16)19-17(13-23-25-19)14-7-10-21-11-8-14/h1-13H,(H,23,25)(H,24,26).
What are the key properties of N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 67188011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).