[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C19H20ClN3O3 — CID 127741686

IUPAC[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(N[C@H]2c3ccccc3C[C@H]2O)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H20ClN3O3/c20-15-9-13(19(25)23-5-7-26-8-6-23)11-21-18(15)22-17-14-4-2-1-3-12(14)10-16(17)24/h1-4,9,11,16-17,24H,5-8,10H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyCSASWCNFDTUITA-SJORKVTESA-N
MW373.84 g/mol
LogP2.28
Rot. Bonds3

About [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 127741686) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID127741686
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(N[C@H]2c3ccccc3C[C@H]2O)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H20ClN3O3/c20-15-9-13(19(25)23-5-7-26-8-6-23)11-21-18(15)22-17-14-4-2-1-3-12(14)10-16(17)24/h1-4,9,11,16-17,24H,5-8,10H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyCSASWCNFDTUITA-SJORKVTESA-N
XLogP2.28
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-6-[(4-chloro-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273440
[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273342
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133435229
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[[3-(trifluoromethyl)cyclohexyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133333851
[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133277623
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 127741686) is [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(N[C@H]2c3ccccc3C[C@H]2O)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is CSASWCNFDTUITA-SJORKVTESA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-15-9-13(19(25)23-5-7-26-8-6-23)11-21-18(15)22-17-14-4-2-1-3-12(14)10-16(17)24/h1-4,9,11,16-17,24H,5-8,10H2,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 373.84 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127741686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).