[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C21H25ClN4O3 — CID 133273421

IUPAC[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H25ClN4O3/c22-19-13-17(21(27)26-7-11-29-12-8-26)15-24-20(19)23-14-16-1-3-18(4-2-16)25-5-9-28-10-6-25/h1-4,13,15H,5-12,14H2,(H,23,24)
InChIKeyMJYIEZIJFSMXPO-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.66
Rot. Bonds5

About [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273421) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273421
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H25ClN4O3/c22-19-13-17(21(27)26-7-11-29-12-8-26)15-24-20(19)23-14-16-1-3-18(4-2-16)25-5-9-28-10-6-25/h1-4,13,15H,5-12,14H2,(H,23,24)
InChIKeyMJYIEZIJFSMXPO-UHFFFAOYSA-N
XLogP2.66
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[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-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
[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-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273334
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[5-chloro-6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273331

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273421) is [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MJYIEZIJFSMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c22-19-13-17(21(27)26-7-11-29-12-8-26)15-24-20(19)23-14-16-1-3-18(4-2-16)25-5-9-28-10-6-25/h1-4,13,15H,5-12,14H2,(H,23,24).
What are the key properties of [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 416.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).