6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16N6O2 — CID 131923435

IUPAC6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cnn2c1
InChIInChI=1S/C20H16N6O2/c1-13-9-22-18-17(11-23-26(18)12-13)20(28)25-16-6-2-5-15(8-16)24-19(27)14-4-3-7-21-10-14/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyVLBYBMKTWMMIQS-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.94
Rot. Bonds4

About 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 131923435) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID131923435
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cnn2c1
InChIInChI=1S/C20H16N6O2/c1-13-9-22-18-17(11-23-26(18)12-13)20(28)25-16-6-2-5-15(8-16)24-19(27)14-4-3-7-21-10-14/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyVLBYBMKTWMMIQS-UHFFFAOYSA-N
XLogP2.94
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 131904395
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
6-methyl-N-(4-methyl-3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134708782
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080620
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 131923435) is 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cnn2c1.
What is the InChIKey of 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VLBYBMKTWMMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-13-9-22-18-17(11-23-26(18)12-13)20(28)25-16-6-2-5-15(8-16)24-19(27)14-4-3-7-21-10-14/h2-12H,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131923435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).