[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone

C14H21N3O2 — CID 105071465

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cnccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H21N3O2/c1-4-16-13-7-15-6-5-12(13)14(18)17-8-10(2)19-11(3)9-17/h5-7,10-11,16H,4,8-9H2,1-3H3/t10-,11+
InChIKeyXLSJVHIMKHJRNG-PHIMTYICSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds3

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone (PubChem CID 105071465) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
PubChem CID105071465
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cnccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H21N3O2/c1-4-16-13-7-15-6-5-12(13)14(18)17-8-10(2)19-11(3)9-17/h5-7,10-11,16H,4,8-9H2,1-3H3/t10-,11+
InChIKeyXLSJVHIMKHJRNG-PHIMTYICSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pimasertib
CID 44187362
Nicopholine
CID 68116
6-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 1228702
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 1247370
1-(Pyridine-4-carbonyl)piperazine
CID 876553
2-Bromo-N-(2-morpholinoethyl)nicotinamide
CID 46233338
4-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 46233361
2-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 3466480
4-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 46233458
(3E)-N-[2-(morpholin-4-yl)ethyl]-3-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]butanamide
CID 5925103
N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 7949225
N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 654022

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone (CID 105071465) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone is CCNc1cnccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone?
The InChIKey is XLSJVHIMKHJRNG-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16-13-7-15-6-5-12(13)14(18)17-8-10(2)19-11(3)9-17/h5-7,10-11,16H,4,8-9H2,1-3H3/t10-,11+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105071465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).