N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide

C21H26N2O2 — CID 119067493

IUPACN-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
SMILESCc1cnccc1-c1ccc(C(=O)N(C)CCCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O2/c1-16-15-22-12-11-20(16)17-7-9-18(10-8-17)21(24)23(2)13-3-5-19-6-4-14-25-19/h7-12,15,19H,3-6,13-14H2,1-2H3
InChIKeyFJJOBGYMRGIOQU-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.09
Rot. Bonds6

About N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide

N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide (PubChem CID 119067493) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
PubChem CID119067493
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
SMILESCc1cnccc1-c1ccc(C(=O)N(C)CCCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O2/c1-16-15-22-12-11-20(16)17-7-9-18(10-8-17)21(24)23(2)13-3-5-19-6-4-14-25-19/h7-12,15,19H,3-6,13-14H2,1-2H3
InChIKeyFJJOBGYMRGIOQU-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-methyl-4-(1-oxo-2,3-dihydroinden-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 126437748
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide
CID 119060730
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide?
The IUPAC name of N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide (CID 119067493) is N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide.
What is the SMILES notation for N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide?
The canonical SMILES for N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide is Cc1cnccc1-c1ccc(C(=O)N(C)CCCC2CCCO2)cc1.
What is the InChIKey of N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide?
The InChIKey is FJJOBGYMRGIOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-15-22-12-11-20(16)17-7-9-18(10-8-17)21(24)23(2)13-3-5-19-6-4-14-25-19/h7-12,15,19H,3-6,13-14H2,1-2H3.
What are the key properties of N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide?
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide is sourced from PubChem (CID 119067493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).