N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide

C23H31N3O3S — CID 112808581

IUPACN-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)nc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H31N3O3S/c1-4-25(5-2)14-15-26(20-13-16-30(28,29)17-20)23(27)21-11-12-22(24-18(21)3)19-9-7-6-8-10-19/h6-12,20H,4-5,13-17H2,1-3H3
InChIKeyLPDZEYVYQZARQO-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.03
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide

N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 112808581) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID112808581
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)nc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C23H31N3O3S/c1-4-25(5-2)14-15-26(20-13-16-30(28,29)17-20)23(27)21-11-12-22(24-18(21)3)19-9-7-6-8-10-19/h6-12,20H,4-5,13-17H2,1-3H3
InChIKeyLPDZEYVYQZARQO-UHFFFAOYSA-N
XLogP3.03
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78837678
N-[2-(diethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 97099488
N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 112830628
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55596779
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 75866800
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
4-chloro-N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-nitrobenzamide
CID 112795894
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 96574310
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97207809
3-(1,3-benzothiazol-2-yl)-1-[2-(diethylamino)ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 97341944
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 78771506

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide (CID 112808581) is N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide is CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)nc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is LPDZEYVYQZARQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-25(5-2)14-15-26(20-13-16-30(28,29)17-20)23(27)21-11-12-22(24-18(21)3)19-9-7-6-8-10-19/h6-12,20H,4-5,13-17H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 112808581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).