4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide

C16H14Cl2FN3O4 — CID 171769814

IUPAC4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)NC(=O)c2cnc(Cl)c(F)c2Cl)c(OC)c1
InChIInChI=1S/C16H14Cl2FN3O4/c1-25-9-4-3-8(11(5-9)26-2)6-21-16(24)22-15(23)10-7-20-14(18)13(19)12(10)17/h3-5,7H,6H2,1-2H3,(H2,21,22,23,24)
InChIKeyWBIIRSWZQCEIFU-UHFFFAOYSA-N
MW402.21 g/mol
LogP3.18
Rot. Bonds5

About 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide

4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide (PubChem CID 171769814) has the molecular formula C16H14Cl2FN3O4 and a molecular weight of 402.21 g/mol. Its IUPAC name is 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide
PubChem CID171769814
Molecular FormulaC16H14Cl2FN3O4
Molecular Weight402.21 g/mol
Exact Mass401.03
IUPAC Name4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)NC(=O)c2cnc(Cl)c(F)c2Cl)c(OC)c1
InChIInChI=1S/C16H14Cl2FN3O4/c1-25-9-4-3-8(11(5-9)26-2)6-21-16(24)22-15(23)10-7-20-14(18)13(19)12(10)17/h3-5,7H,6H2,1-2H3,(H2,21,22,23,24)
InChIKeyWBIIRSWZQCEIFU-UHFFFAOYSA-N
XLogP3.18
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea
CID 167924121
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619175
8-bromo-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170354594
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
N-[(2,4-dimethoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 47338634
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide (CID 171769814) is 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide is COc1ccc(CNC(=O)NC(=O)c2cnc(Cl)c(F)c2Cl)c(OC)c1.
What is the InChIKey of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is WBIIRSWZQCEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O4/c1-25-9-4-3-8(11(5-9)26-2)6-21-16(24)22-15(23)10-7-20-14(18)13(19)12(10)17/h3-5,7H,6H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide?
4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 402.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 171769814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).