4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide

C16H25N3O2 — CID 83037271

IUPAC4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCC1(CC)CC(Nc2ccnc(C(=O)NC)c2)CCO1
InChIInChI=1S/C16H25N3O2/c1-4-16(5-2)11-13(7-9-21-16)19-12-6-8-18-14(10-12)15(20)17-3/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXZGYPSPZGCBOQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.59
Rot. Bonds5

About 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide

4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 83037271) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID83037271
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCC1(CC)CC(Nc2ccnc(C(=O)NC)c2)CCO1
InChIInChI=1S/C16H25N3O2/c1-4-16(5-2)11-13(7-9-21-16)19-12-6-8-18-14(10-12)15(20)17-3/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyXZGYPSPZGCBOQE-UHFFFAOYSA-N
XLogP2.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide (CID 83037271) is 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide is CCC1(CC)CC(Nc2ccnc(C(=O)NC)c2)CCO1.
What is the InChIKey of 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is XZGYPSPZGCBOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-16(5-2)11-13(7-9-21-16)19-12-6-8-18-14(10-12)15(20)17-3/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide?
4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diethyloxan-4-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 83037271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).