2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide

C22H27N3O3 — CID 95886302

IUPAC2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide
SMILESCOc1cc2c(cc1CN1CCOC[C@H]1CC(=O)Nc1cccnc1)CCC2
InChIInChI=1S/C22H27N3O3/c1-27-21-11-17-5-2-4-16(17)10-18(21)14-25-8-9-28-15-20(25)12-22(26)24-19-6-3-7-23-13-19/h3,6-7,10-11,13,20H,2,4-5,8-9,12,14-15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyWHXZWXZCZHWZKA-HXUWFJFHSA-N
MW381.48 g/mol
LogP2.81
Rot. Bonds6

About 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide

2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide (PubChem CID 95886302) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide
PubChem CID95886302
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide
SMILESCOc1cc2c(cc1CN1CCOC[C@H]1CC(=O)Nc1cccnc1)CCC2
InChIInChI=1S/C22H27N3O3/c1-27-21-11-17-5-2-4-16(17)10-18(21)14-25-8-9-28-15-20(25)12-22(26)24-19-6-3-7-23-13-19/h3,6-7,10-11,13,20H,2,4-5,8-9,12,14-15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyWHXZWXZCZHWZKA-HXUWFJFHSA-N
XLogP2.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
2-[(3R)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]morpholin-3-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 95871990
2-[(3R)-4-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]morpholin-3-yl]-N,N-dimethylacetamide
CID 95886548
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
N-(3-methoxyphenyl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)morpholin-3-yl]acetamide
CID 56904398
2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide
CID 21460070
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83101094
N-[[4-[(2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100679
(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40792766
2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95862444

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide (CID 95886302) is 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide is COc1cc2c(cc1CN1CCOC[C@H]1CC(=O)Nc1cccnc1)CCC2.
What is the InChIKey of 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide?
The InChIKey is WHXZWXZCZHWZKA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-21-11-17-5-2-4-16(17)10-18(21)14-25-8-9-28-15-20(25)12-22(26)24-19-6-3-7-23-13-19/h3,6-7,10-11,13,20H,2,4-5,8-9,12,14-15H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide?
2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-3-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 95886302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).