2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide

C22H20Cl2N4O3 — CID 142777355

IUPAC2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)c(-c3ccccn3)c2)C=CC(C(=O)N2CCOCC2)=NC1Cl
InChIInChI=1S/C22H20Cl2N4O3/c23-16-5-4-14(13-15(16)17-3-1-2-8-26-17)22(21(25)30)7-6-18(27-20(22)24)19(29)28-9-11-31-12-10-28/h1-8,13,20H,9-12H2,(H2,25,30)
InChIKeyWTJRLVQPWUIVNP-UHFFFAOYSA-N
MW459.33 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide

2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide (PubChem CID 142777355) has the molecular formula C22H20Cl2N4O3 and a molecular weight of 459.33 g/mol. Its IUPAC name is 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide
PubChem CID142777355
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.33 g/mol
Exact Mass458.09
IUPAC Name2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)c(-c3ccccn3)c2)C=CC(C(=O)N2CCOCC2)=NC1Cl
InChIInChI=1S/C22H20Cl2N4O3/c23-16-5-4-14(13-15(16)17-3-1-2-8-26-17)22(21(25)30)7-6-18(27-20(22)24)19(29)28-9-11-31-12-10-28/h1-8,13,20H,9-12H2,(H2,25,30)
InChIKeyWTJRLVQPWUIVNP-UHFFFAOYSA-N
XLogP2.56
TPSA97.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide (CID 142777355) is 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide is NC(=O)C1(c2ccc(Cl)c(-c3ccccn3)c2)C=CC(C(=O)N2CCOCC2)=NC1Cl.
What is the InChIKey of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide?
The InChIKey is WTJRLVQPWUIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3/c23-16-5-4-14(13-15(16)17-3-1-2-8-26-17)22(21(25)30)7-6-18(27-20(22)24)19(29)28-9-11-31-12-10-28/h1-8,13,20H,9-12H2,(H2,25,30).
What are the key properties of 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide?
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide has a molecular weight of 459.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 142777355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).