2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide

C18H20ClN3O4 — CID 25247132

IUPAC2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2Cl)c(N2CCOCC2)cc1OC
InChIInChI=1S/C18H20ClN3O4/c1-24-15-10-13(21-18(23)12-4-3-5-20-17(12)19)14(11-16(15)25-2)22-6-8-26-9-7-22/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)
InChIKeyQPLSINMBHVIFSK-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide

2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide (PubChem CID 25247132) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
PubChem CID25247132
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2Cl)c(N2CCOCC2)cc1OC
InChIInChI=1S/C18H20ClN3O4/c1-24-15-10-13(21-18(23)12-4-3-5-20-17(12)19)14(11-16(15)25-2)22-6-8-26-9-7-22/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)
InChIKeyQPLSINMBHVIFSK-UHFFFAOYSA-N
XLogP2.84
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
2-chloro-N-[(3-methyl-4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3387256
2-(dimethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110299292
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide (CID 25247132) is 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2Cl)c(N2CCOCC2)cc1OC.
What is the InChIKey of 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The InChIKey is QPLSINMBHVIFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-24-15-10-13(21-18(23)12-4-3-5-20-17(12)19)14(11-16(15)25-2)22-6-8-26-9-7-22/h3-5,10-11H,6-9H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide?
2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dimethoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 25247132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).