N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide

C18H21N3OS — CID 166280885

IUPACN-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide
SMILESCN(Cc1ccc(N)nc1)C(=O)Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C18H21N3OS/c1-21(12-14-4-9-17(19)20-11-14)18(22)10-13-2-5-15(6-3-13)23-16-7-8-16/h2-6,9,11,16H,7-8,10,12H2,1H3,(H2,19,20)
InChIKeyPKCFLAPAMAULMI-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.12
Rot. Bonds6

About N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide

N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide (PubChem CID 166280885) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide
PubChem CID166280885
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide
SMILESCN(Cc1ccc(N)nc1)C(=O)Cc1ccc(SC2CC2)cc1
InChIInChI=1S/C18H21N3OS/c1-21(12-14-4-9-17(19)20-11-14)18(22)10-13-2-5-15(6-3-13)23-16-7-8-16/h2-6,9,11,16H,7-8,10,12H2,1H3,(H2,19,20)
InChIKeyPKCFLAPAMAULMI-UHFFFAOYSA-N
XLogP3.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[(4-Methylphenyl)thio]acetyl}-4-(2-pyridinyl)piperazine
CID 974706
N-(7-(isopropylthio)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57411213
N-(5-{[2-(1-pyrrolidinylcarbonyl)phenyl]sulfanyl}-2-pyridinyl)acetamide
CID 1480879
2-(2-Methoxy-ethylsulfanyl)-N-(4-methyl-pyridin-2-yl)-benzamide
CID 1803142
N-Pyridin-3-ylmethyl-2-p-tolylsulfanyl-propionamide
CID 2947603
N-Pyridin-2-yl-2-(toluene-4-sulfonyl)-acetamide
CID 3163424
3-cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-pyridin-2-yl-propionamide
CID 22315084
N-Pyridin-3-ylmethyl-2-p-tolylsulfanyl-acetamide
CID 816108
3-[(4-methylphenyl)thio]-N-(4-pyridinylmethyl)propanamide
CID 951570
2-(4-methylphenylthio)-N-(4-pyridylmethyl)propanamide
CID 2948701
trans-(1R,2R)-2-(6-amino-3-pyridinyl)-N-[[4-(benzenesulfonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 76314704
(2E)-2-(4-cyclopropylsulfonylphenyl)-N-pyridin-2-yl-2-pyrrolidin-1-yliminoacetamide
CID 156012365

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide (CID 166280885) is N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide is CN(Cc1ccc(N)nc1)C(=O)Cc1ccc(SC2CC2)cc1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide?
The InChIKey is PKCFLAPAMAULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-21(12-14-4-9-17(19)20-11-14)18(22)10-13-2-5-15(6-3-13)23-16-7-8-16/h2-6,9,11,16H,7-8,10,12H2,1H3,(H2,19,20).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide?
N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide has a molecular weight of 327.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-2-(4-cyclopropylsulfanylphenyl)-N-methylacetamide is sourced from PubChem (CID 166280885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).