1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine

C17H15N3S — CID 165409512

IUPAC1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine
SMILESc1cncc(-c2ccc(SNCc3ccncc3)cc2)c1
InChIInChI=1S/C17H15N3S/c1-2-16(13-19-9-1)15-3-5-17(6-4-15)21-20-12-14-7-10-18-11-8-14/h1-11,13,20H,12H2
InChIKeyRCWVWQZOBDAAMW-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.94
Rot. Bonds5

About 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine

1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine (PubChem CID 165409512) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine
PubChem CID165409512
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine
SMILESc1cncc(-c2ccc(SNCc3ccncc3)cc2)c1
InChIInChI=1S/C17H15N3S/c1-2-16(13-19-9-1)15-3-5-17(6-4-15)21-20-12-14-7-10-18-11-8-14/h1-11,13,20H,12H2
InChIKeyRCWVWQZOBDAAMW-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1H-indol-6-yl)phenyl]sulfanyl-1-pyridin-4-ylmethanamine
CID 165409524
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
3-azulen-6-ylpyridine
CID 86232079
N'-(1H-indazol-6-ylsulfanyl)-N-[(4-pyridin-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171637613
N-(3-bromophenyl)sulfanyl-1-pyridin-4-ylmethanamine
CID 144614917
cyclopenta[c]azepine
CID 638010
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
N-(3-methylphenyl)sulfanyl-1-(3-pyridin-4-ylphenyl)methanamine
CID 145434017
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
CID 141390156
CID 141390156
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 170887253

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine?
The IUPAC name of 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine (CID 165409512) is 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine is c1cncc(-c2ccc(SNCc3ccncc3)cc2)c1.
What is the InChIKey of 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine?
The InChIKey is RCWVWQZOBDAAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-2-16(13-19-9-1)15-3-5-17(6-4-15)21-20-12-14-7-10-18-11-8-14/h1-11,13,20H,12H2.
What are the key properties of 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine?
1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine has a molecular weight of 293.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(4-pyridin-3-ylphenyl)sulfanylmethanamine is sourced from PubChem (CID 165409512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).