N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide

C20H19N3O3S — CID 24638864

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C20H19N3O3S/c1-23(14-18(24)22-13-15-7-6-12-26-15)20(25)17-10-5-11-21-19(17)27-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyNEERVVPRFNWUFP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 24638864) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID24638864
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C20H19N3O3S/c1-23(14-18(24)22-13-15-7-6-12-26-15)20(25)17-10-5-11-21-19(17)27-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyNEERVVPRFNWUFP-UHFFFAOYSA-N
XLogP3.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160453
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773688
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18156517
2-(4-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 17472100
3-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 17425443
2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24660756
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628
3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 24638837

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide (CID 24638864) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is NEERVVPRFNWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(14-18(24)22-13-15-7-6-12-26-15)20(25)17-10-5-11-21-19(17)27-16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 24638864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).