N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide

C31H43N11O4 — CID 5246721

IUPACN-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(-c2cccc(-c3nc(NC(=O)C(C)(C)C)nc(NC(=O)C(C)(C)C)n3)n2)n1
InChIInChI=1S/C31H43N11O4/c1-28(2,3)20(43)37-24-33-18(34-25(41-24)38-21(44)29(4,5)6)16-14-13-15-17(32-16)19-35-26(39-22(45)30(7,8)9)42-27(36-19)40-23(46)31(10,11)12/h13-15H,1-12H3,(H2,33,34,37,38,41,43,44)(H2,35,36,39,40,42,45,46)
InChIKeyKCSBZVOVLVXCES-UHFFFAOYSA-N
MW633.76 g/mol
LogP4.72
Rot. Bonds6

About N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide

N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 5246721) has the molecular formula C31H43N11O4 and a molecular weight of 633.76 g/mol. Its IUPAC name is N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
PubChem CID5246721
Molecular FormulaC31H43N11O4
Molecular Weight633.76 g/mol
Exact Mass633.35
IUPAC NameN-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(-c2cccc(-c3nc(NC(=O)C(C)(C)C)nc(NC(=O)C(C)(C)C)n3)n2)n1
InChIInChI=1S/C31H43N11O4/c1-28(2,3)20(43)37-24-33-18(34-25(41-24)38-21(44)29(4,5)6)16-14-13-15-17(32-16)19-35-26(39-22(45)30(7,8)9)42-27(36-19)40-23(46)31(10,11)12/h13-15H,1-12H3,(H2,33,34,37,38,41,43,44)(H2,35,36,39,40,42,45,46)
InChIKeyKCSBZVOVLVXCES-UHFFFAOYSA-N
XLogP4.72
TPSA206.63 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.76
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

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N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
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N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide (CID 5246721) is N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(-c2cccc(-c3nc(NC(=O)C(C)(C)C)nc(NC(=O)C(C)(C)C)n3)n2)n1.
What is the InChIKey of N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KCSBZVOVLVXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N11O4/c1-28(2,3)20(43)37-24-33-18(34-25(41-24)38-21(44)29(4,5)6)16-14-13-15-17(32-16)19-35-26(39-22(45)30(7,8)9)42-27(36-19)40-23(46)31(10,11)12/h13-15H,1-12H3,(H2,33,34,37,38,41,43,44)(H2,35,36,39,40,42,45,46).
What are the key properties of N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 633.76 g/mol, XLogP of 4.72, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 5246721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).