N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide

C19H23N3O4S — CID 109172781

IUPACN-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C19H23N3O4S/c1-26-17-5-3-2-4-14(17)6-9-20-18-12-15(7-10-21-18)19(23)22-16-8-11-27(24,25)13-16/h2-5,7,10,12,16H,6,8-9,11,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyXUTMHYWDEMDONT-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.66
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172781) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172781
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C19H23N3O4S/c1-26-17-5-3-2-4-14(17)6-9-20-18-12-15(7-10-21-18)19(23)22-16-8-11-27(24,25)13-16/h2-5,7,10,12,16H,6,8-9,11,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyXUTMHYWDEMDONT-UHFFFAOYSA-N
XLogP1.66
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308551
4-N-(1,1-dioxothiolan-3-yl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861482
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
CID 109173265
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212055
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988
N-(1,1-dioxothiolan-3-yl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964259
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351226

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide (CID 109172781) is N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide is COc1ccccc1CCNc1cc(C(=O)NC2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is XUTMHYWDEMDONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-5-3-2-4-14(17)6-9-20-18-12-15(7-10-21-18)19(23)22-16-8-11-27(24,25)13-16/h2-5,7,10,12,16H,6,8-9,11,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).