3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide

C18H19N3O3 — CID 109103938

IUPAC3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O3/c22-17(20-12-16-7-4-8-24-16)13-9-14(11-19-10-13)18(23)21-15-5-2-1-3-6-15/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,20,22)(H,21,23)
InChIKeyHULQQNDLVHHBBO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.24
Rot. Bonds5

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

3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109103938) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109103938
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O3/c22-17(20-12-16-7-4-8-24-16)13-9-14(11-19-10-13)18(23)21-15-5-2-1-3-6-15/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,20,22)(H,21,23)
InChIKeyHULQQNDLVHHBBO-UHFFFAOYSA-N
XLogP2.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide (CID 109103938) is 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide is O=C(NCC1CCCO1)c1cncc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is HULQQNDLVHHBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(20-12-16-7-4-8-24-16)13-9-14(11-19-10-13)18(23)21-15-5-2-1-3-6-15/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,20,22)(H,21,23).
What are the key properties of 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide?
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).