3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide

C25H39N3O4 — CID 166225120

IUPAC3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
SMILESCOC1(C)CC(N(C)C(=O)c2cncc(C(=O)N(C)C3CC(C)(OC)C3(C)C)c2)C1(C)C
InChIInChI=1S/C25H39N3O4/c1-22(2)18(12-24(22,5)31-9)27(7)20(29)16-11-17(15-26-14-16)21(30)28(8)19-13-25(6,32-10)23(19,3)4/h11,14-15,18-19H,12-13H2,1-10H3
InChIKeySAVDQAOHBIBEDW-UHFFFAOYSA-N
MW445.60 g/mol
LogP3.63
Rot. Bonds6

About 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide

3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide (PubChem CID 166225120) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
PubChem CID166225120
Molecular FormulaC25H39N3O4
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
SMILESCOC1(C)CC(N(C)C(=O)c2cncc(C(=O)N(C)C3CC(C)(OC)C3(C)C)c2)C1(C)C
InChIInChI=1S/C25H39N3O4/c1-22(2)18(12-24(22,5)31-9)27(7)20(29)16-11-17(15-26-14-16)21(30)28(8)19-13-25(6,32-10)23(19,3)4/h11,14-15,18-19H,12-13H2,1-10H3
InChIKeySAVDQAOHBIBEDW-UHFFFAOYSA-N
XLogP3.63
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide (CID 166225120) is 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide is COC1(C)CC(N(C)C(=O)c2cncc(C(=O)N(C)C3CC(C)(OC)C3(C)C)c2)C1(C)C.
What is the InChIKey of 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is SAVDQAOHBIBEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-22(2)18(12-24(22,5)31-9)27(7)20(29)16-11-17(15-26-14-16)21(30)28(8)19-13-25(6,32-10)23(19,3)4/h11,14-15,18-19H,12-13H2,1-10H3.
What are the key properties of 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 445.60 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(3-methoxy-2,2,3-trimethylcyclobutyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 166225120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).