N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C17H17N3O2S — CID 95135064

IUPACN-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(=O)[nH]1
InChIInChI=1S/C17H17N3O2S/c1-11(9-18)10-23-15-6-4-3-5-14(15)20-17(22)13-8-7-12(2)19-16(13)21/h3-8,11H,10H2,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyPHPXAEFWJWJZPD-LLVKDONJSA-N
MW327.41 g/mol
LogP3.19
Rot. Bonds5

About N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95135064) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95135064
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(=O)[nH]1
InChIInChI=1S/C17H17N3O2S/c1-11(9-18)10-23-15-6-4-3-5-14(15)20-17(22)13-8-7-12(2)19-16(13)21/h3-8,11H,10H2,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyPHPXAEFWJWJZPD-LLVKDONJSA-N
XLogP3.19
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538250
N-[2-(2-cyanopropylsulfanyl)phenyl]-3-methylpyrrolidine-1-carboxamide
CID 86900806
4-[[2-(2-cyanopropylsulfanyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122079776
N-[2-(2-cyanopropylsulfanyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86900057
N-(3-formyl-2-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 90105569
1-[2-[(2S)-2-cyanopropyl]sulfanylphenyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea
CID 95308178
N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 95327640
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 167769199
1-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-3-[3-(cyclopropylmethoxy)propyl]urea
CID 95330552
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977509

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 95135064) is N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c(=O)[nH]1.
What is the InChIKey of N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PHPXAEFWJWJZPD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11(9-18)10-23-15-6-4-3-5-14(15)20-17(22)13-8-7-12(2)19-16(13)21/h3-8,11H,10H2,1-2H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95135064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).