3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

C20H22ClN3O3 — CID 109103917

IUPAC3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H22ClN3O3/c21-17-5-3-14(4-6-17)7-8-23-19(25)15-10-16(12-22-11-15)20(26)24-13-18-2-1-9-27-18/h3-6,10-12,18H,1-2,7-9,13H2,(H,23,25)(H,24,26)
InChIKeyIWBSPZWPBIUEDO-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.62
Rot. Bonds7

About 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103917) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103917
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H22ClN3O3/c21-17-5-3-14(4-6-17)7-8-23-19(25)15-10-16(12-22-11-15)20(26)24-13-18-2-1-9-27-18/h3-6,10-12,18H,1-2,7-9,13H2,(H,23,25)(H,24,26)
InChIKeyIWBSPZWPBIUEDO-UHFFFAOYSA-N
XLogP2.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103917) is 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)c1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is IWBSPZWPBIUEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-17-5-3-14(4-6-17)7-8-23-19(25)15-10-16(12-22-11-15)20(26)24-13-18-2-1-9-27-18/h3-6,10-12,18H,1-2,7-9,13H2,(H,23,25)(H,24,26).
What are the key properties of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).