(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide

C17H17N3O3S — CID 30929664

IUPAC(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NCc2ccco2)nc1C
InChIInChI=1S/C17H17N3O3S/c1-10-15(11(2)21)7-13(8-18)17(20-10)24-12(3)16(22)19-9-14-5-4-6-23-14/h4-7,12H,9H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyKCGMGAMRRCETNB-GFCCVEGCSA-N
MW343.41 g/mol
LogP2.85
Rot. Bonds6

About (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide

(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 30929664) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID30929664
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NCc2ccco2)nc1C
InChIInChI=1S/C17H17N3O3S/c1-10-15(11(2)21)7-13(8-18)17(20-10)24-12(3)16(22)19-9-14-5-4-6-23-14/h4-7,12H,9H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyKCGMGAMRRCETNB-GFCCVEGCSA-N
XLogP2.85
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 18091492
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-prop-2-enylpropanamide
CID 18091488
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(4-tert-butylphenyl)propanamide
CID 18171734
ethyl 5-cyano-6-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate
CID 8602768
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 46357692
(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(1-adamantylcarbamoyl)propanamide
CID 39806627
(2R)-N-(furan-2-ylmethyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40550081
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495
5-acetyl-2-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-6-methylpyridine-3-carbonitrile
CID 18171736
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 42916165
N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 17441816
(2S)-N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 955200

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide (CID 30929664) is (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide is CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NCc2ccco2)nc1C.
What is the InChIKey of (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KCGMGAMRRCETNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-15(11(2)21)7-13(8-18)17(20-10)24-12(3)16(22)19-9-14-5-4-6-23-14/h4-7,12H,9H2,1-3H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide?
(2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 30929664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).