[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C17H17ClN4O4 — CID 133273334

IUPAC[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2ccccc2[N+](=O)[O-])c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H17ClN4O4/c18-14-9-13(17(23)21-5-7-26-8-6-21)11-20-16(14)19-10-12-3-1-2-4-15(12)22(24)25/h1-4,9,11H,5-8,10H2,(H,19,20)
InChIKeyHWZAFKGXNHPKLH-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.73
Rot. Bonds5

About [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273334) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273334
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCc2ccccc2[N+](=O)[O-])c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H17ClN4O4/c18-14-9-13(17(23)21-5-7-26-8-6-21)11-20-16(14)19-10-12-3-1-2-4-15(12)22(24)25/h1-4,9,11H,5-8,10H2,(H,19,20)
InChIKeyHWZAFKGXNHPKLH-UHFFFAOYSA-N
XLogP2.73
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[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
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[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
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 133273291
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
morpholin-4-yl-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]methanone
CID 47078580
[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-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273334) is [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCc2ccccc2[N+](=O)[O-])c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is HWZAFKGXNHPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c18-14-9-13(17(23)21-5-7-26-8-6-21)11-20-16(14)19-10-12-3-1-2-4-15(12)22(24)25/h1-4,9,11H,5-8,10H2,(H,19,20).
What are the key properties of [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 376.80 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).