5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

C18H17Cl2N3O3 — CID 109104008

IUPAC5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-3-4-15(20)16(7-13)23-18(25)12-6-11(8-21-9-12)17(24)22-10-14-2-1-5-26-14/h3-4,6-9,14H,1-2,5,10H2,(H,22,24)(H,23,25)
InChIKeyOBBOYGNEVSFSET-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.55
Rot. Bonds5

About 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109104008) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109104008
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-3-4-15(20)16(7-13)23-18(25)12-6-11(8-21-9-12)17(24)22-10-14-2-1-5-26-14/h3-4,6-9,14H,1-2,5,10H2,(H,22,24)(H,23,25)
InChIKeyOBBOYGNEVSFSET-UHFFFAOYSA-N
XLogP3.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109104008) is 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCC1CCCO1)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is OBBOYGNEVSFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-13-3-4-15(20)16(7-13)23-18(25)12-6-11(8-21-9-12)17(24)22-10-14-2-1-5-26-14/h3-4,6-9,14H,1-2,5,10H2,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).