N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide

C18H20N2O3S — CID 44775635

IUPACN-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Sc2ncccc2C(=O)NCC2CC2)c1
InChIInChI=1S/C18H20N2O3S/c1-22-13-7-8-15(23-2)16(10-13)24-18-14(4-3-9-19-18)17(21)20-11-12-5-6-12/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,20,21)
InChIKeyPSLBNKFFBSYZTG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.39
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide

N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 44775635) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide
PubChem CID44775635
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Sc2ncccc2C(=O)NCC2CC2)c1
InChIInChI=1S/C18H20N2O3S/c1-22-13-7-8-15(23-2)16(10-13)24-18-14(4-3-9-19-18)17(21)20-11-12-5-6-12/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,20,21)
InChIKeyPSLBNKFFBSYZTG-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2083057
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CID 2093193
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
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N-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093961
Ethyl 2-({5-[(4-methoxyanilino)carbonyl]-2-pyridinyl}sulfanyl)acetate
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CID 2874292
2-(3,4-dimethylphenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 4840415
N-(3-methoxybenzyl)-3-(1-{[2-(methylthio)-3-pyridinyl]carbonyl}-3-piperidinyl)propanamide
CID 24790150
2-(cyanomethylsulfanyl)-N-[2-(4-phenoxyphenyl)ethyl]pyridine-3-carboxamide
CID 45488255
N-[(3-methoxyphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153484
N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926704
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CID 2988381

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide (CID 44775635) is N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide is COc1ccc(OC)c(Sc2ncccc2C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is PSLBNKFFBSYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-22-13-7-8-15(23-2)16(10-13)24-18-14(4-3-9-19-18)17(21)20-11-12-5-6-12/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,20,21).
What are the key properties of N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide?
N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 44775635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).