1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide

C30H30N6O3 — CID 11329889

IUPAC1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
SMILESCCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(CC)n3)cc(C(=O)Nc3cccc(CC)n3)c2)n1
InChIInChI=1S/C30H30N6O3/c1-4-22-10-7-13-25(31-22)34-28(37)19-16-20(29(38)35-26-14-8-11-23(5-2)32-26)18-21(17-19)30(39)36-27-15-9-12-24(6-3)33-27/h7-18H,4-6H2,1-3H3,(H,31,34,37)(H,32,35,38)(H,33,36,39)
InChIKeyKFZXGHJQGQODSN-UHFFFAOYSA-N
MW522.61 g/mol
LogP5.32
Rot. Bonds9

About 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide (PubChem CID 11329889) has the molecular formula C30H30N6O3 and a molecular weight of 522.61 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
PubChem CID11329889
Molecular FormulaC30H30N6O3
Molecular Weight522.61 g/mol
Exact Mass522.24
IUPAC Name1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
SMILESCCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(CC)n3)cc(C(=O)Nc3cccc(CC)n3)c2)n1
InChIInChI=1S/C30H30N6O3/c1-4-22-10-7-13-25(31-22)34-28(37)19-16-20(29(38)35-26-14-8-11-23(5-2)32-26)18-21(17-19)30(39)36-27-15-9-12-24(6-3)33-27/h7-18H,4-6H2,1-3H3,(H,31,34,37)(H,32,35,38)(H,33,36,39)
InChIKeyKFZXGHJQGQODSN-UHFFFAOYSA-N
XLogP5.32
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethyl-2-pyridinyl)butanamide
CID 66596264
N-[6-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343745
N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide
CID 107603232
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 82343837
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-(6-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507077
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide
CID 59212540
N-[6-(butanoylamino)-2-pyridinyl]-3-[2-[3-[[6-(butanoylamino)-2-pyridinyl]carbamoyl]phenyl]ethyl]benzamide
CID 10984801
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799748

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide (CID 11329889) is 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide is CCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(CC)n3)cc(C(=O)Nc3cccc(CC)n3)c2)n1.
What is the InChIKey of 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide?
The InChIKey is KFZXGHJQGQODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3/c1-4-22-10-7-13-25(31-22)34-28(37)19-16-20(29(38)35-26-14-8-11-23(5-2)32-26)18-21(17-19)30(39)36-27-15-9-12-24(6-3)33-27/h7-18H,4-6H2,1-3H3,(H,31,34,37)(H,32,35,38)(H,33,36,39).
What are the key properties of 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide has a molecular weight of 522.61 g/mol, XLogP of 5.32, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 11329889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).