3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide

C24H22N6O2 — CID 168929891

IUPAC3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnn(C(C)C)c2)cc1-c1cncc(-c2ccnc(C=O)c2)n1
InChIInChI=1S/C24H22N6O2/c1-15(2)30-13-20(10-27-30)28-24(32)18-5-4-16(3)21(9-18)23-12-25-11-22(29-23)17-6-7-26-19(8-17)14-31/h4-15H,1-3H3,(H,28,32)
InChIKeyHNOHDMGMSGGJJQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.36
Rot. Bonds6

About 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide

3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide (PubChem CID 168929891) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
PubChem CID168929891
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnn(C(C)C)c2)cc1-c1cncc(-c2ccnc(C=O)c2)n1
InChIInChI=1S/C24H22N6O2/c1-15(2)30-13-20(10-27-30)28-24(32)18-5-4-16(3)21(9-18)23-12-25-11-22(29-23)17-6-7-26-19(8-17)14-31/h4-15H,1-3H3,(H,28,32)
InChIKeyHNOHDMGMSGGJJQ-UHFFFAOYSA-N
XLogP4.36
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide
CID 168929500
N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 168930113
6-bromo-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66462563
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 62904281
3-propan-2-yloxy-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 134702922
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
N-(1-propan-2-ylpyrazol-4-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62903269
2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
CID 168929774
4-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]pyrazin-2-yl]-N-cyclopropylpyridine-2-carboxamide
CID 168930218
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
3-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 138034343

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide (CID 168929891) is 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide is Cc1ccc(C(=O)Nc2cnn(C(C)C)c2)cc1-c1cncc(-c2ccnc(C=O)c2)n1.
What is the InChIKey of 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
The InChIKey is HNOHDMGMSGGJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15(2)30-13-20(10-27-30)28-24(32)18-5-4-16(3)21(9-18)23-12-25-11-22(29-23)17-6-7-26-19(8-17)14-31/h4-15H,1-3H3,(H,28,32).
What are the key properties of 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide?
3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 168929891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).