[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C18H22ClN3O3 — CID 95187057

IUPAC[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cc([C@@H](C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)o1
InChIInChI=1S/C18H22ClN3O3/c1-11-8-15(13(3)25-11)12(2)21-17-16(19)9-14(10-20-17)18(23)22-4-6-24-7-5-22/h8-10,12H,4-7H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyPFVTXXNPXIWLHQ-GFCCVEGCSA-N
MW363.85 g/mol
LogP3.59
Rot. Bonds4

About [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 95187057) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID95187057
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cc([C@@H](C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)o1
InChIInChI=1S/C18H22ClN3O3/c1-11-8-15(13(3)25-11)12(2)21-17-16(19)9-14(10-20-17)18(23)22-4-6-24-7-5-22/h8-10,12H,4-7H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyPFVTXXNPXIWLHQ-GFCCVEGCSA-N
XLogP3.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273417
[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133412769
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293846
[5-chloro-6-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133417484
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[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-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 95187057) is [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1cc([C@@H](C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)o1.
What is the InChIKey of [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PFVTXXNPXIWLHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11-8-15(13(3)25-11)12(2)21-17-16(19)9-14(10-20-17)18(23)22-4-6-24-7-5-22/h8-10,12H,4-7H2,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 363.85 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95187057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).