N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide

C24H24N6O2 — CID 168929500

IUPACN-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(/C=N/C(C)C)=C/N)cc1-c1cncc(-c2ccnc(C=O)c2)n1
InChIInChI=1S/C24H24N6O2/c1-15(2)28-11-20(10-25)29-24(32)18-5-4-16(3)21(9-18)23-13-26-12-22(30-23)17-6-7-27-19(8-17)14-31/h4-15H,25H2,1-3H3,(H,29,32)/b20-10+,28-11+
InChIKeyFPGMRDJMNOWOQL-RDDJDKCDSA-N
MW428.50 g/mol
LogP3.34
Rot. Bonds7

About N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide

N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide (PubChem CID 168929500) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide
PubChem CID168929500
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(/C=N/C(C)C)=C/N)cc1-c1cncc(-c2ccnc(C=O)c2)n1
InChIInChI=1S/C24H24N6O2/c1-15(2)28-11-20(10-25)29-24(32)18-5-4-16(3)21(9-18)23-13-26-12-22(30-23)17-6-7-27-19(8-17)14-31/h4-15H,25H2,1-3H3,(H,29,32)/b20-10+,28-11+
InChIKeyFPGMRDJMNOWOQL-RDDJDKCDSA-N
XLogP3.34
TPSA123.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 168929891
N-methyl-4-[6-[2-methyl-5-(methylamino)phenyl]pyrazin-2-yl]pyridine-2-carboxamide;4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 168930113
tert-butyl N-[2-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]oxyethyl]carbamate
CID 121284076
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
N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide
CID 168930169
N,4-dimethyl-3-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 22049767
5-cyclopropyl-N-[3-[2-(2-formyl-4-pyridinyl)-6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-methylphenyl]pyridazine-3-carboxamide;N-methylmethanamine
CID 176565500
4-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]pyrazin-2-yl]-N-cyclopropylpyridine-2-carboxamide
CID 168930218
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
4-acetylpyridine-2-carbaldehyde;ethane
CID 142622199
2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
CID 171766331
ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine
CID 178155038

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide?
The IUPAC name of 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) is N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(/C=N/C(C)C)=C/N)cc1-c1cncc(-c2ccnc(C=O)c2)n1.
What is the InChIKey of N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide?
The InChIKey is FPGMRDJMNOWOQL-RDDJDKCDSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15(2)28-11-20(10-25)29-24(32)18-5-4-16(3)21(9-18)23-13-26-12-22(30-23)17-6-7-27-19(8-17)14-31/h4-15H,25H2,1-3H3,(H,29,32)/b20-10+,28-11+.
What are the key properties of N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide?
N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide has a molecular weight of 428.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]-3-[6-(2-formyl-4-pyridinyl)pyrazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 168929500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).