2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde

About 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde

2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde (PubChem CID 168929586) has the molecular formula C36H41N5O3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name	2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde
PubChem CID	168929586
Molecular Formula	C36H41N5O3
Molecular Weight	591.76 g/mol
Exact Mass	591.32
IUPAC Name	2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde
SMILES	CCC#CC(C)(C)c1cc(C=O)ccn1.CNc1ccc(C)c(-c2ccnc(-c3ccnc(NC(=O)C(C)(C)OC)c3)c2)c1
InChI	InChI=1S/C23H26N4O2.C13H15NO/c1-15-6-7-18(24-4)14-19(15)16-8-10-25-20(12-16)17-9-11-26-21(13-17)27-22(28)23(2,3)29-5;1-4-5-7-13(2,3)12-9-11(10-15)6-8-14-12/h6-14,24H,1-5H3,(H,26,27,28);6,8-10H,4H2,1-3H3
InChIKey	DTZSWDKGAXWSOB-UHFFFAOYSA-N
XLogP	7.11
TPSA	106.10 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.76
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde?

The IUPAC name of 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde (CID 168929586) is 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde.

What is the SMILES notation for 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde?

The canonical SMILES for 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde is CCC#CC(C)(C)c1cc(C=O)ccn1.CNc1ccc(C)c(-c2ccnc(-c3ccnc(NC(=O)C(C)(C)OC)c3)c2)c1.

What is the InChIKey of 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde?

The InChIKey is DTZSWDKGAXWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C13H15NO/c1-15-6-7-18(24-4)14-19(15)16-8-10-25-20(12-16)17-9-11-26-21(13-17)27-22(28)23(2,3)29-5;1-4-5-7-13(2,3)12-9-11(10-15)6-8-14-12/h6-14,24H,1-5H3,(H,26,27,28);6,8-10H,4H2,1-3H3.

What are the key properties of 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde?

2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde has a molecular weight of 591.76 g/mol, XLogP of 7.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-methyl-N-[4-[4-[2-methyl-5-(methylamino)phenyl]-2-pyridinyl]-2-pyridinyl]propanamide;2-(2-methylhex-3-yn-2-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 168929586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).