1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H28N8O2 — CID 56525149

IUPAC1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)n1
InChIInChI=1S/C23H28N8O2/c1-15-7-10-25-19(13-15)27-21(32)16-8-11-31(12-9-16)14-20-28-22(24)30-23(29-20)26-17-5-3-4-6-18(17)33-2/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,25,27,32)(H3,24,26,28,29,30)
InChIKeyJHOQYCQHRUKUFF-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.76
Rot. Bonds7

About 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 56525149) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID56525149
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)n1
InChIInChI=1S/C23H28N8O2/c1-15-7-10-25-19(13-15)27-21(32)16-8-11-31(12-9-16)14-20-28-22(24)30-23(29-20)26-17-5-3-4-6-18(17)33-2/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,25,27,32)(H3,24,26,28,29,30)
InChIKeyJHOQYCQHRUKUFF-UHFFFAOYSA-N
XLogP2.76
TPSA131.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25470934
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872
[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35221728
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 96538160
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
N-(2-methoxyphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000000
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 1494734
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37177459

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 56525149) is 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3cc(C)ccn3)CC2)n1.
What is the InChIKey of 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is JHOQYCQHRUKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-15-7-10-25-19(13-15)27-21(32)16-8-11-31(12-9-16)14-20-28-22(24)30-23(29-20)26-17-5-3-4-6-18(17)33-2/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H,25,27,32)(H3,24,26,28,29,30).
What are the key properties of 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 56525149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).