N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

C17H27N3O3 — CID 97127632

IUPACN-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O3/c1-12-10-13(2)18-16(21)15(12)17(22)20(8-7-19(3)4)11-14-6-5-9-23-14/h10,14H,5-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyGGQQPOWRMIFSFP-AWEZNQCLSA-N
MW321.42 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 97127632) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID97127632
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O3/c1-12-10-13(2)18-16(21)15(12)17(22)20(8-7-19(3)4)11-14-6-5-9-23-14/h10,14H,5-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyGGQQPOWRMIFSFP-AWEZNQCLSA-N
XLogP1.17
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 96570042
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 126450263
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 136778281
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
4-cyano-N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 77095173

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 97127632) is N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(=O)[nH]1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is GGQQPOWRMIFSFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-10-13(2)18-16(21)15(12)17(22)20(8-7-19(3)4)11-14-6-5-9-23-14/h10,14H,5-9,11H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97127632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).