N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide

C26H30FN7O — CID 56624260

IUPACN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(N(C(C)=O)c3ccc(F)c4ccccc34)CC2)n1
InChIInChI=1S/C26H30FN7O/c1-4-14-28-24-30-25(29-15-5-2)32-26(31-24)33-16-12-19(13-17-33)34(18(3)35)23-11-10-22(27)20-8-6-7-9-21(20)23/h4-11,19H,1-2,12-17H2,3H3,(H2,28,29,30,31,32)
InChIKeyVCAHHRXYRVCKGE-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.38
Rot. Bonds9

About N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide

N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide (PubChem CID 56624260) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide
PubChem CID56624260
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC NameN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(N(C(C)=O)c3ccc(F)c4ccccc34)CC2)n1
InChIInChI=1S/C26H30FN7O/c1-4-14-28-24-30-25(29-15-5-2)32-26(31-24)33-16-12-19(13-17-33)34(18(3)35)23-11-10-22(27)20-8-6-7-9-21(20)23/h4-11,19H,1-2,12-17H2,3H3,(H2,28,29,30,31,32)
InChIKeyVCAHHRXYRVCKGE-UHFFFAOYSA-N
XLogP4.38
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid naphthalen-1-ylamide
CID 655932
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 645539
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]-methylamino]phenyl]acetamide
CID 53362970
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N-methylacetamide
CID 53363026
4-chloro-6-(morpholin-4-yl)-N-(naphthalen-1-yl)-1,3,5-triazin-2-amine
CID 699792
N-[3-[[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 45138544
N-[3-[[4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45138688
6-[4-[(4-fluoronaphthalen-1-yl)-methylamino]piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56628845
N-(2-phenylethyl)-4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
CID 58039561
N-(3-fluorophenyl)-4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
CID 58039709
6-(2,2,2-trifluoroethoxy)-4-N-[3-(trifluoromethyl)phenyl]-2-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 58039952

Frequently Asked Questions

What is the IUPAC name of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide?
The IUPAC name of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide (CID 56624260) is N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide is C=CCNc1nc(NCC=C)nc(N2CCC(N(C(C)=O)c3ccc(F)c4ccccc34)CC2)n1.
What is the InChIKey of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide?
The InChIKey is VCAHHRXYRVCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-4-14-28-24-30-25(29-15-5-2)32-26(31-24)33-16-12-19(13-17-33)34(18(3)35)23-11-10-22(27)20-8-6-7-9-21(20)23/h4-11,19H,1-2,12-17H2,3H3,(H2,28,29,30,31,32).
What are the key properties of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide?
N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-(4-fluoronaphthalen-1-yl)acetamide is sourced from PubChem (CID 56624260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).