(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide

C25H25N7O2 — CID 41263728

IUPAC(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C25H25N7O2/c1-17(22(33)27-20-14-9-15-21(16-20)34-2)26-23-30-24(28-18-10-5-3-6-11-18)32-25(31-23)29-19-12-7-4-8-13-19/h3-17H,1-2H3,(H,27,33)(H3,26,28,29,30,31,32)/t17-/m0/s1
InChIKeyOZPKINQDKYQBTM-KRWDZBQOSA-N
MW455.52 g/mol
LogP4.81
Rot. Bonds9

About (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide

(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 41263728) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide
PubChem CID41263728
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C25H25N7O2/c1-17(22(33)27-20-14-9-15-21(16-20)34-2)26-23-30-24(28-18-10-5-3-6-11-18)32-25(31-23)29-19-12-7-4-8-13-19/h3-17H,1-2H3,(H,27,33)(H3,26,28,29,30,31,32)/t17-/m0/s1
InChIKeyOZPKINQDKYQBTM-KRWDZBQOSA-N
XLogP4.81
TPSA113.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide with MolForge

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Related Compounds

(2R)-2-[[4,6-bis(3,5-dimethylanilino)-1,3,5-triazin-2-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 41284516
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide (CID 41263728) is (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is OZPKINQDKYQBTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-17(22(33)27-20-14-9-15-21(16-20)34-2)26-23-30-24(28-18-10-5-3-6-11-18)32-25(31-23)29-19-12-7-4-8-13-19/h3-17H,1-2H3,(H,27,33)(H3,26,28,29,30,31,32)/t17-/m0/s1.
What are the key properties of (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 455.52 g/mol, XLogP of 4.81, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 41263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).