N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

C18H21N3O2S — CID 33275524

IUPACN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cccnc1Sc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2S/c1-4-19-16(22)13(3)21-17(23)15-6-5-11-20-18(15)24-14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3,(H,19,22)(H,21,23)/t13-/m1/s1
InChIKeyFGFBCEZECGMJTM-CYBMUJFWSA-N
MW343.45 g/mol
LogP2.80
Rot. Bonds6

About N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 33275524) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID33275524
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cccnc1Sc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2S/c1-4-19-16(22)13(3)21-17(23)15-6-5-11-20-18(15)24-14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3,(H,19,22)(H,21,23)/t13-/m1/s1
InChIKeyFGFBCEZECGMJTM-CYBMUJFWSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859
N-(2-methylbutan-2-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 2558790
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 8741098
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773883
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773885
N-ethyl-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 47038893
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
N-[3-(4-chloroanilino)sulfanyl-4-fluorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 156859919
2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (CID 33275524) is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is CCNC(=O)[C@@H](C)NC(=O)c1cccnc1Sc1ccc(C)cc1.
What is the InChIKey of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is FGFBCEZECGMJTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-19-16(22)13(3)21-17(23)15-6-5-11-20-18(15)24-14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3,(H,19,22)(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 33275524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).