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

C18H21N3O4S — CID 109212055

IUPACN-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccccc1CNc1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21N3O4S/c1-25-17-5-3-2-4-13(17)11-20-14-6-8-19-16(10-14)18(22)21-15-7-9-26(23,24)12-15/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyNTDHNADVSLGXKZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.62
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109212055) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109212055
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccccc1CNc1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21N3O4S/c1-25-17-5-3-2-4-13(17)11-20-14-6-8-19-16(10-14)18(22)21-15-7-9-26(23,24)12-15/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyNTDHNADVSLGXKZ-UHFFFAOYSA-N
XLogP1.62
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211268
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308551
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172781
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889
N-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212097
N-(3,5-dimethylphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212083
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109212055) is N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccccc1CNc1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is NTDHNADVSLGXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-25-17-5-3-2-4-13(17)11-20-14-6-8-19-16(10-14)18(22)21-15-7-9-26(23,24)12-15/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.62, 6 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)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109212055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).