N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide

C21H18ClN3O5 — CID 23463895

IUPACN-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H18ClN3O5/c1-28-16-4-3-5-17(29-2)19(16)20(26)25-21(27)24-18-11-10-15(12-23-18)30-14-8-6-13(22)7-9-14/h3-12H,1-2H3,(H2,23,24,25,26,27)
InChIKeySWAZPEFMMYCXON-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.51
Rot. Bonds6

About N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide

N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide (PubChem CID 23463895) has the molecular formula C21H18ClN3O5 and a molecular weight of 427.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
PubChem CID23463895
Molecular FormulaC21H18ClN3O5
Molecular Weight427.84 g/mol
Exact Mass427.09
IUPAC NameN-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H18ClN3O5/c1-28-16-4-3-5-17(29-2)19(16)20(26)25-21(27)24-18-11-10-15(12-23-18)30-14-8-6-13(22)7-9-14/h3-12H,1-2H3,(H2,23,24,25,26,27)
InChIKeySWAZPEFMMYCXON-UHFFFAOYSA-N
XLogP4.51
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521731
N-[5-(dipropylamino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113030910
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide (CID 23463895) is N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The InChIKey is SWAZPEFMMYCXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5/c1-28-16-4-3-5-17(29-2)19(16)20(26)25-21(27)24-18-11-10-15(12-23-18)30-14-8-6-13(22)7-9-14/h3-12H,1-2H3,(H2,23,24,25,26,27).
What are the key properties of N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide has a molecular weight of 427.84 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenoxy)-2-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 23463895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).