N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide

C17H27N3O2 — CID 11847518

IUPACN-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-12-10-14(20-6-8-22-9-7-20)18-13(2)16(12)19-15(21)11-17(3,4)5/h10H,6-9,11H2,1-5H3,(H,19,21)
InChIKeyBKFDFCVASNKPOA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.91
Rot. Bonds3

About N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide

N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 11847518) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide
PubChem CID11847518
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCc1cc(N2CCOCC2)nc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-12-10-14(20-6-8-22-9-7-20)18-13(2)16(12)19-15(21)11-17(3,4)5/h10H,6-9,11H2,1-5H3,(H,19,21)
InChIKeyBKFDFCVASNKPOA-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide (CID 11847518) is N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide is Cc1cc(N2CCOCC2)nc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is BKFDFCVASNKPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-10-14(20-6-8-22-9-7-20)18-13(2)16(12)19-15(21)11-17(3,4)5/h10H,6-9,11H2,1-5H3,(H,19,21).
What are the key properties of N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide?
N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-morpholin-4-yl-3-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 11847518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).