N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H20N2O3 — CID 24980158

IUPACN-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)nc1
InChIInChI=1S/C18H20N2O3/c1-13-4-9-17(19-11-13)20-18(21)14-5-7-15(8-6-14)23-12-16-3-2-10-22-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,19,20,21)
InChIKeyKBALYIAAKQBPEX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24980158) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID24980158
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)nc1
InChIInChI=1S/C18H20N2O3/c1-13-4-9-17(19-11-13)20-18(21)14-5-7-15(8-6-14)23-12-16-3-2-10-22-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,19,20,21)
InChIKeyKBALYIAAKQBPEX-UHFFFAOYSA-N
XLogP3.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cym5181
CID 976135
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
4-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789891
N-(3-hydroxy-2-pyridinyl)-4-phenoxybenzamide
CID 2373623
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide
CID 649849
4-methoxy-N-[(4-methylpyridin-2-yl)carbamoyl]benzamide
CID 1540545
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
(3S)-4-[4-[3-[(4-methoxy-2-pyridinyl)amino]propoxy]phenyl]-3-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 71550913
3-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 678423
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 24980158) is N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is KBALYIAAKQBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-9-17(19-11-13)20-18(21)14-5-7-15(8-6-14)23-12-16-3-2-10-22-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24980158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).