2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide

C18H26N2O3 — CID 91765378

IUPAC2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc(C)n1
InChIInChI=1S/C18H26N2O3/c1-12-9-15(10-13(2)19-12)18(21)20-17-5-8-23-11-16(17)14-3-6-22-7-4-14/h9-10,14,16-17H,3-8,11H2,1-2H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyHKULINZREWRHSP-IRXDYDNUSA-N
MW318.42 g/mol
LogP2.26
Rot. Bonds3

About 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide

2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide (PubChem CID 91765378) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide
PubChem CID91765378
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc(C)n1
InChIInChI=1S/C18H26N2O3/c1-12-9-15(10-13(2)19-12)18(21)20-17-5-8-23-11-16(17)14-3-6-22-7-4-14/h9-10,14,16-17H,3-8,11H2,1-2H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyHKULINZREWRHSP-IRXDYDNUSA-N
XLogP2.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-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 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide (CID 91765378) is 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide?
The InChIKey is HKULINZREWRHSP-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-9-15(10-13(2)19-12)18(21)20-17-5-8-23-11-16(17)14-3-6-22-7-4-14/h9-10,14,16-17H,3-8,11H2,1-2H3,(H,20,21)/t16-,17-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide?
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91765378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).