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

C18H20ClN3O2 — CID 75417189

IUPAC[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-2-4-14(5-3-13)11-20-17-16(19)10-15(12-21-17)18(23)22-6-8-24-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,20,21)
InChIKeyOXOQOPPGCXRSBV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.13
Rot. Bonds4

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

[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 75417189) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID75417189
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-2-4-14(5-3-13)11-20-17-16(19)10-15(12-21-17)18(23)22-6-8-24-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,20,21)
InChIKeyOXOQOPPGCXRSBV-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
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-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273389
[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273383
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271107
[5-chloro-6-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 126803255

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 75417189) is [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1.
What is the InChIKey of [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is OXOQOPPGCXRSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-2-4-14(5-3-13)11-20-17-16(19)10-15(12-21-17)18(23)22-6-8-24-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,20,21).
What are the key properties of [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 345.83 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75417189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).