5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C19H22N2O2 — CID 93231190

IUPAC5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2cncc(C(=O)NC[C@@H]3CCCO3)c2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-6-14(2)18(8-13)15-9-16(11-20-10-15)19(22)21-12-17-4-3-7-23-17/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyLHQNHTWLLHZTEJ-KRWDZBQOSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds4

About 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 93231190) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID93231190
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(-c2cncc(C(=O)NC[C@@H]3CCCO3)c2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-6-14(2)18(8-13)15-9-16(11-20-10-15)19(22)21-12-17-4-3-7-23-17/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyLHQNHTWLLHZTEJ-KRWDZBQOSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42845777
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
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
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 93231190) is 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is Cc1ccc(C)c(-c2cncc(C(=O)NC[C@@H]3CCCO3)c2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LHQNHTWLLHZTEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-5-6-14(2)18(8-13)15-9-16(11-20-10-15)19(22)21-12-17-4-3-7-23-17/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 93231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).