N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide

C15H14N2O2S — CID 154933865

IUPACN-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide
SMILESCc1cccc(CNC=O)c1Sc1ncccc1C=O
InChIInChI=1S/C15H14N2O2S/c1-11-4-2-5-12(8-16-10-19)14(11)20-15-13(9-18)6-3-7-17-15/h2-7,9-10H,8H2,1H3,(H,16,19)
InChIKeyRLNTVSPSRHKZMK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.60
Rot. Bonds6

About N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide

N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide (PubChem CID 154933865) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide
PubChem CID154933865
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide
SMILESCc1cccc(CNC=O)c1Sc1ncccc1C=O
InChIInChI=1S/C15H14N2O2S/c1-11-4-2-5-12(8-16-10-19)14(11)20-15-13(9-18)6-3-7-17-15/h2-7,9-10H,8H2,1H3,(H,16,19)
InChIKeyRLNTVSPSRHKZMK-UHFFFAOYSA-N
XLogP2.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
CID 144904179
formaldehyde;N-[(2-methylphenyl)methyl]formamide
CID 143352574
N-[[2-(2-formylphenyl)sulfanyl-5-methoxy-3-methylphenyl]methyl]formamide
CID 154933855
9H-fluoren-9-ylmethyl N-[[5-bromo-2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]carbamate
CID 129078988
N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide
CID 139069526
2-aminosulfanylpyridine-3-carbaldehyde
CID 155744539
(3-formyl-2-pyridinyl) thiocyanate
CID 22633088
2-benzylsulfanylpyridine-3-carbaldehyde
CID 4531915
methyl 2-[2-formyl-6-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate
CID 129078913
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
9H-fluoren-9-ylmethyl N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methyl-6-(6-oxo-1H-pyridin-3-yl)phenyl]methyl]carbamate
CID 145301800
3-formyl-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 142955446

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide?
The IUPAC name of N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide (CID 154933865) is N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide.
What is the SMILES notation for N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide?
The canonical SMILES for N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide is Cc1cccc(CNC=O)c1Sc1ncccc1C=O.
What is the InChIKey of N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide?
The InChIKey is RLNTVSPSRHKZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-4-2-5-12(8-16-10-19)14(11)20-15-13(9-18)6-3-7-17-15/h2-7,9-10H,8H2,1H3,(H,16,19).
What are the key properties of N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide?
N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide has a molecular weight of 286.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide is sourced from PubChem (CID 154933865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).