N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride

C14H15ClN2OS — CID 110784452

IUPACN-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCSc1ccc(CNC(=O)c2ccncc2)cc1.Cl
InChIInChI=1S/C14H14N2OS.ClH/c1-18-13-4-2-11(3-5-13)10-16-14(17)12-6-8-15-9-7-12;/h2-9H,10H2,1H3,(H,16,17);1H
InChIKeyXDPCJCZFUFOIAT-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.16
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride

N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110784452) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110784452
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCSc1ccc(CNC(=O)c2ccncc2)cc1.Cl
InChIInChI=1S/C14H14N2OS.ClH/c1-18-13-4-2-11(3-5-13)10-16-14(17)12-6-8-15-9-7-12;/h2-9H,10H2,1H3,(H,16,17);1H
InChIKeyXDPCJCZFUFOIAT-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 110730530
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride (CID 110784452) is N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride is CSc1ccc(CNC(=O)c2ccncc2)cc1.Cl.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is XDPCJCZFUFOIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS.ClH/c1-18-13-4-2-11(3-5-13)10-16-14(17)12-6-8-15-9-7-12;/h2-9H,10H2,1H3,(H,16,17);1H.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110784452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).