4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide

C23H26N6O2 — CID 136671359

IUPAC4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H26N6O2/c1-16(17-7-11-20(12-8-17)29-13-3-2-4-14-29)25-22(31)18-5-9-19(10-6-18)26-23-27-21(30)15-24-28-23/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,31)(H2,26,27,28,30)
InChIKeyWYRQGXWZGMQUNK-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.39
Rot. Bonds6

About 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide

4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide (PubChem CID 136671359) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide
PubChem CID136671359
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H26N6O2/c1-16(17-7-11-20(12-8-17)29-13-3-2-4-14-29)25-22(31)18-5-9-19(10-6-18)26-23-27-21(30)15-24-28-23/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,31)(H2,26,27,28,30)
InChIKeyWYRQGXWZGMQUNK-UHFFFAOYSA-N
XLogP3.39
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
ethyl 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135445475
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
4-[2-oxo-2-[1-(4-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10570930
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide (CID 136671359) is 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Nc2nncc(=O)[nH]2)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide?
The InChIKey is WYRQGXWZGMQUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16(17-7-11-20(12-8-17)29-13-3-2-4-14-29)25-22(31)18-5-9-19(10-6-18)26-23-27-21(30)15-24-28-23/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,31)(H2,26,27,28,30).
What are the key properties of 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide?
4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 136671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).