N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide

C16H25N3O2 — CID 113015387

IUPACN-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-4-9-19(2)15-6-5-14(12-17-15)18-16(20)13-7-10-21-11-8-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,20)
InChIKeyRCEJEQCMLTXYEG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds6

About N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide

N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113015387) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
PubChem CID113015387
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-4-9-19(2)15-6-5-14(12-17-15)18-16(20)13-7-10-21-11-8-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,20)
InChIKeyRCEJEQCMLTXYEG-UHFFFAOYSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide 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-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide (CID 113015387) is N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide is CCCCN(C)c1ccc(NC(=O)C2CCOCC2)cn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is RCEJEQCMLTXYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-4-9-19(2)15-6-5-14(12-17-15)18-16(20)13-7-10-21-11-8-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113015387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).