4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide

C26H29N5O2 — CID 24853014

IUPAC4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cnc3c(c2)N(C(=O)c2ccccc2)CCN3)cc1
InChIInChI=1S/C26H29N5O2/c1-30(2)15-6-13-28-25(32)20-11-9-19(10-12-20)22-17-23-24(29-18-22)27-14-16-31(23)26(33)21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyIGKMEUSJVNUDEY-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.50
Rot. Bonds7

About 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide

4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 24853014) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide
PubChem CID24853014
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cnc3c(c2)N(C(=O)c2ccccc2)CCN3)cc1
InChIInChI=1S/C26H29N5O2/c1-30(2)15-6-13-28-25(32)20-11-9-19(10-12-20)22-17-23-24(29-18-22)27-14-16-31(23)26(33)21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H,27,29)(H,28,32)
InChIKeyIGKMEUSJVNUDEY-UHFFFAOYSA-N
XLogP3.50
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084059
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
2-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109083923
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109045940
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide (CID 24853014) is 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cnc3c(c2)N(C(=O)c2ccccc2)CCN3)cc1.
What is the InChIKey of 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is IGKMEUSJVNUDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-30(2)15-6-13-28-25(32)20-11-9-19(10-12-20)22-17-23-24(29-18-22)27-14-16-31(23)26(33)21-7-4-3-5-8-21/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H,27,29)(H,28,32).
What are the key properties of 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide?
4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 24853014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).