6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide

C28H30N8O3 — CID 70815906

IUPAC6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
SMILESCOc1cccc(-c2nc(Nc3ccc(C(=O)Nc4ccccc4)cn3)nc(N3CCN(CCO)CC3)n2)c1
InChIInChI=1S/C28H30N8O3/c1-39-23-9-5-6-20(18-23)25-32-27(34-28(33-25)36-14-12-35(13-15-36)16-17-37)31-24-11-10-21(19-29-24)26(38)30-22-7-3-2-4-8-22/h2-11,18-19,37H,12-17H2,1H3,(H,30,38)(H,29,31,32,33,34)
InChIKeyGALVWBFKOWHJTI-UHFFFAOYSA-N
MW526.60 g/mol
LogP3.05
Rot. Bonds9

About 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide

6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide (PubChem CID 70815906) has the molecular formula C28H30N8O3 and a molecular weight of 526.60 g/mol. Its IUPAC name is 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
PubChem CID70815906
Molecular FormulaC28H30N8O3
Molecular Weight526.60 g/mol
Exact Mass526.24
IUPAC Name6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
SMILESCOc1cccc(-c2nc(Nc3ccc(C(=O)Nc4ccccc4)cn3)nc(N3CCN(CCO)CC3)n2)c1
InChIInChI=1S/C28H30N8O3/c1-39-23-9-5-6-20(18-23)25-32-27(34-28(33-25)36-14-12-35(13-15-36)16-17-37)31-24-11-10-21(19-29-24)26(38)30-22-7-3-2-4-8-22/h2-11,18-19,37H,12-17H2,1H3,(H,30,38)(H,29,31,32,33,34)
InChIKeyGALVWBFKOWHJTI-UHFFFAOYSA-N
XLogP3.05
TPSA128.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2-chloro-6-methylphenyl)-6-[[4-(3,4-difluorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
CID 70815459
6-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
CID 70816024
N-(2-chloro-6-methylphenyl)-2-[[4-(2,6-dimethylphenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-(4-methoxyphenyl)-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 159222853
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-(3-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109163087
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide (CID 70815906) is 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide is COc1cccc(-c2nc(Nc3ccc(C(=O)Nc4ccccc4)cn3)nc(N3CCN(CCO)CC3)n2)c1.
What is the InChIKey of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide?
The InChIKey is GALVWBFKOWHJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O3/c1-39-23-9-5-6-20(18-23)25-32-27(34-28(33-25)36-14-12-35(13-15-36)16-17-37)31-24-11-10-21(19-29-24)26(38)30-22-7-3-2-4-8-22/h2-11,18-19,37H,12-17H2,1H3,(H,30,38)(H,29,31,32,33,34).
What are the key properties of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide?
6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(3-methoxyphenyl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 70815906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).