N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide

C20H14BrN5O — CID 71694640

IUPACN-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cccnc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C20H14BrN5O/c21-16-5-1-6-17(10-16)25-20(27)18-7-3-9-23-19(18)26-13-15(12-24-26)14-4-2-8-22-11-14/h1-13H,(H,25,27)
InChIKeyTVCAIPGUGGUHPU-UHFFFAOYSA-N
MW420.27 g/mol
LogP4.34
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide

N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 71694640) has the molecular formula C20H14BrN5O and a molecular weight of 420.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID71694640
Molecular FormulaC20H14BrN5O
Molecular Weight420.27 g/mol
Exact Mass419.04
IUPAC NameN-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cccnc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C20H14BrN5O/c21-16-5-1-6-17(10-16)25-20(27)18-7-3-9-23-19(18)26-13-15(12-24-26)14-4-2-8-22-11-14/h1-13H,(H,25,27)
InChIKeyTVCAIPGUGGUHPU-UHFFFAOYSA-N
XLogP4.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71694646
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-(3-bromophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3730071
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131923435
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide (CID 71694640) is N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide is O=C(Nc1cccc(Br)c1)c1cccnc1-n1cc(-c2cccnc2)cn1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is TVCAIPGUGGUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5O/c21-16-5-1-6-17(10-16)25-20(27)18-7-3-9-23-19(18)26-13-15(12-24-26)14-4-2-8-22-11-14/h1-13H,(H,25,27).
What are the key properties of N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide?
N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-pyridin-3-ylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71694640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).