N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide

C13H14N4OS — CID 47408950

IUPACN-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(Sc1ncccn1)C(=O)NCc1ccncc1
InChIInChI=1S/C13H14N4OS/c1-10(19-13-15-5-2-6-16-13)12(18)17-9-11-3-7-14-8-4-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyIQSBSFFVZIQTAH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.67
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide

N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 47408950) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID47408950
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(Sc1ncccn1)C(=O)NCc1ccncc1
InChIInChI=1S/C13H14N4OS/c1-10(19-13-15-5-2-6-16-13)12(18)17-9-11-3-7-14-8-4-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyIQSBSFFVZIQTAH-UHFFFAOYSA-N
XLogP1.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 39082461
(2S)-N-carbamoyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 8024239
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2S)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 94814627
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304873
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 24600607

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide (CID 47408950) is N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide is CC(Sc1ncccn1)C(=O)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is IQSBSFFVZIQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-10(19-13-15-5-2-6-16-13)12(18)17-9-11-3-7-14-8-4-11/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide?
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 274.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 47408950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).