2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide

C18H19ClFN5O3 — CID 134584108

IUPAC2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2(c3ccc(F)c(Cl)c3)CN(C(N)=O)CCO2)nc1
InChIInChI=1S/C18H19ClFN5O3/c19-14-7-12(2-4-15(14)20)18(10-25(17(21)27)5-6-28-18)8-13-3-1-11(9-23-13)16(26)24-22/h1-4,7,9H,5-6,8,10,22H2,(H2,21,27)(H,24,26)
InChIKeyKGDHPADSQATAPL-UHFFFAOYSA-N
MW407.83 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide

2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 134584108) has the molecular formula C18H19ClFN5O3 and a molecular weight of 407.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID134584108
Molecular FormulaC18H19ClFN5O3
Molecular Weight407.83 g/mol
Exact Mass407.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2(c3ccc(F)c(Cl)c3)CN(C(N)=O)CCO2)nc1
InChIInChI=1S/C18H19ClFN5O3/c19-14-7-12(2-4-15(14)20)18(10-25(17(21)27)5-6-28-18)8-13-3-1-11(9-23-13)16(26)24-22/h1-4,7,9H,5-6,8,10,22H2,(H2,21,27)(H,24,26)
InChIKeyKGDHPADSQATAPL-UHFFFAOYSA-N
XLogP1.33
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide (CID 134584108) is 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide is NNC(=O)c1ccc(CC2(c3ccc(F)c(Cl)c3)CN(C(N)=O)CCO2)nc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is KGDHPADSQATAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5O3/c19-14-7-12(2-4-15(14)20)18(10-25(17(21)27)5-6-28-18)8-13-3-1-11(9-23-13)16(26)24-22/h1-4,7,9H,5-6,8,10,22H2,(H2,21,27)(H,24,26).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 134584108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).