N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide

C25H28N6O2 — CID 24760535

IUPACN-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCN(C)C)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C25H28N6O2/c1-31(2)12-6-11-27-25(32)18-9-10-20(23(14-18)33-3)29-24-16-26-15-22(30-24)21-13-17-7-4-5-8-19(17)28-21/h4-5,7-10,13-16,28H,6,11-12H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyVTNHHYGXQQBHGX-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.06
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide

N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide (PubChem CID 24760535) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide
PubChem CID24760535
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCN(C)C)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C25H28N6O2/c1-31(2)12-6-11-27-25(32)18-9-10-20(23(14-18)33-3)29-24-16-26-15-22(30-24)21-13-17-7-4-5-8-19(17)28-21/h4-5,7-10,13-16,28H,6,11-12H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyVTNHHYGXQQBHGX-UHFFFAOYSA-N
XLogP4.06
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 71126111
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
4-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 67159076
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
5-(4-chloro-2,5-dimethoxyanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277891

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide (CID 24760535) is N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide is COc1cc(C(=O)NCCCN(C)C)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide?
The InChIKey is VTNHHYGXQQBHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-31(2)12-6-11-27-25(32)18-9-10-20(23(14-18)33-3)29-24-16-26-15-22(30-24)21-13-17-7-4-5-8-19(17)28-21/h4-5,7-10,13-16,28H,6,11-12H2,1-3H3,(H,27,32)(H,29,30).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide?
N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide has a molecular weight of 444.54 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide is sourced from PubChem (CID 24760535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).