3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide

C15H23N3O2 — CID 154768257

IUPAC3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide
SMILESCc1cnc(C)c(NC(=O)C(CN)C2CCOCC2)c1
InChIInChI=1S/C15H23N3O2/c1-10-7-14(11(2)17-9-10)18-15(19)13(8-16)12-3-5-20-6-4-12/h7,9,12-13H,3-6,8,16H2,1-2H3,(H,18,19)
InChIKeyFLPILTNWZZHLCB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide

3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide (PubChem CID 154768257) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide
PubChem CID154768257
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide
SMILESCc1cnc(C)c(NC(=O)C(CN)C2CCOCC2)c1
InChIInChI=1S/C15H23N3O2/c1-10-7-14(11(2)17-9-10)18-15(19)13(8-16)12-3-5-20-6-4-12/h7,9,12-13H,3-6,8,16H2,1-2H3,(H,18,19)
InChIKeyFLPILTNWZZHLCB-UHFFFAOYSA-N
XLogP1.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide?
The IUPAC name of 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide (CID 154768257) is 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide?
The canonical SMILES for 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide is Cc1cnc(C)c(NC(=O)C(CN)C2CCOCC2)c1.
What is the InChIKey of 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide?
The InChIKey is FLPILTNWZZHLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-7-14(11(2)17-9-10)18-15(19)13(8-16)12-3-5-20-6-4-12/h7,9,12-13H,3-6,8,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide?
3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 154768257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).