2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide

C20H29N3O2 — CID 98764784

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cn2)C[C@H](C)O1
InChIInChI=1S/C20H29N3O2/c1-13-11-23(12-14(2)25-13)19-6-5-18(10-21-19)22-20(24)9-17-8-15-3-4-16(17)7-15/h5-6,10,13-17H,3-4,7-9,11-12H2,1-2H3,(H,22,24)/t13-,14+,15-,16-,17-/m0/s1
InChIKeyXXONKOUHGLBRHO-QEOTZNIISA-N
MW343.47 g/mol
LogP3.46
Rot. Bonds4

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide (PubChem CID 98764784) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
PubChem CID98764784
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cn2)C[C@H](C)O1
InChIInChI=1S/C20H29N3O2/c1-13-11-23(12-14(2)25-13)19-6-5-18(10-21-19)22-20(24)9-17-8-15-3-4-16(17)7-15/h5-6,10,13-17H,3-4,7-9,11-12H2,1-2H3,(H,22,24)/t13-,14+,15-,16-,17-/m0/s1
InChIKeyXXONKOUHGLBRHO-QEOTZNIISA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47067439
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide
CID 71889123
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
CID 51958852
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
CID 55960129
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 55786353
N-[3-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 51958844

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide (CID 98764784) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide is C[C@@H]1CN(c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cn2)C[C@H](C)O1.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide?
The InChIKey is XXONKOUHGLBRHO-QEOTZNIISA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13-11-23(12-14(2)25-13)19-6-5-18(10-21-19)22-20(24)9-17-8-15-3-4-16(17)7-15/h5-6,10,13-17H,3-4,7-9,11-12H2,1-2H3,(H,22,24)/t13-,14+,15-,16-,17-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 98764784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).