N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide

C21H27N3O3 — CID 126450263

IUPACN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(=O)[nH]2)c1
InChIInChI=1S/C21H27N3O3/c1-23(2)11-12-24(15-18-8-5-13-27-18)21(26)17-7-3-6-16(14-17)19-9-4-10-20(25)22-19/h3-4,6-7,9-10,14,18H,5,8,11-13,15H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyKSVSHOSTXOWFAY-GOSISDBHSA-N
MW369.47 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide (PubChem CID 126450263) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
PubChem CID126450263
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(=O)[nH]2)c1
InChIInChI=1S/C21H27N3O3/c1-23(2)11-12-24(15-18-8-5-13-27-18)21(26)17-7-3-6-16(14-17)19-9-4-10-20(25)22-19/h3-4,6-7,9-10,14,18H,5,8,11-13,15H2,1-2H3,(H,22,25)/t18-/m1/s1
InChIKeyKSVSHOSTXOWFAY-GOSISDBHSA-N
XLogP2.22
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126438198
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 97127632
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
4-cyano-N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 77095173
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide (CID 126450263) is N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide is CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(=O)[nH]2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide?
The InChIKey is KSVSHOSTXOWFAY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23(2)11-12-24(15-18-8-5-13-27-18)21(26)17-7-3-6-16(14-17)19-9-4-10-20(25)22-19/h3-4,6-7,9-10,14,18H,5,8,11-13,15H2,1-2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide is sourced from PubChem (CID 126450263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).