2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide

C15H23N3O2 — CID 120801738

IUPAC2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-18(9-4-12-2-7-17-8-3-12)15(19)14(16)13-5-10-20-11-6-13/h2-3,7-8,13-14H,4-6,9-11,16H2,1H3
InChIKeySFAWQFYFXIJNMW-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.84
Rot. Bonds5

About 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide

2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 120801738) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID120801738
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-18(9-4-12-2-7-17-8-3-12)15(19)14(16)13-5-10-20-11-6-13/h2-3,7-8,13-14H,4-6,9-11,16H2,1H3
InChIKeySFAWQFYFXIJNMW-UHFFFAOYSA-N
XLogP0.84
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-sec-Butyl-N'-pyridin-4-ylmethyl-oxalamide
CID 3149552
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-(2-pyridin-4-ylethyl)piperidin-3-yl]butanamide
CID 57401197
N-butyl-N'-(pyridin-4-ylmethyl)oxamide
CID 1987923
(S)-N-(1-hydroxy-4-methylpentan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747790
N-(Cyclohexylcarbamoyl-pyridin-4-yl-methyl)-2,2,2-trifluoro-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 656042
3-methyl-N-[2-(4-pyridinyl)ethyl]butanamide
CID 934804
N-tert-Butyl-N'-pyridin-4-ylmethyl-oxalamide
CID 3117745
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide
CID 3216346
(2S)-2-[2-(oxan-4-yl)ethylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
CID 71451566
2-ethyl-N-(pyridin-4-ylmethyl)butanamide
CID 882213
2-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 2905749

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide (CID 120801738) is 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is SFAWQFYFXIJNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(9-4-12-2-7-17-8-3-12)15(19)14(16)13-5-10-20-11-6-13/h2-3,7-8,13-14H,4-6,9-11,16H2,1H3.
What are the key properties of 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide?
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 120801738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).