[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone

C20H22ClN3O2 — CID 133273306

IUPAC[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H22ClN3O2/c21-18-11-17(20(25)24-6-8-26-9-7-24)13-23-19(18)22-12-14-4-5-15-2-1-3-16(15)10-14/h4-5,10-11,13H,1-3,6-9,12H2,(H,22,23)
InChIKeyVWJBTFGAHXSVMJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.31
Rot. Bonds4

About [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273306) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273306
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H22ClN3O2/c21-18-11-17(20(25)24-6-8-26-9-7-24)13-23-19(18)22-12-14-4-5-15-2-1-3-16(15)10-14/h4-5,10-11,13H,1-3,6-9,12H2,(H,22,23)
InChIKeyVWJBTFGAHXSVMJ-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 133273291
[5-chloro-6-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271107
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273389
[5-chloro-6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273331
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273306) is [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCc2ccc3c(c2)CCC3)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is VWJBTFGAHXSVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-11-17(20(25)24-6-8-26-9-7-24)13-23-19(18)22-12-14-4-5-15-2-1-3-16(15)10-14/h4-5,10-11,13H,1-3,6-9,12H2,(H,22,23).
What are the key properties of [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 371.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).