6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine

C17H16N2OS — CID 43755833

IUPAC6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc(-c3ccccc3)s2)cn1
InChIInChI=1S/C17H16N2OS/c1-20-17-10-7-14(11-19-17)18-12-15-8-9-16(21-15)13-5-3-2-4-6-13/h2-11,18H,12H2,1H3
InChIKeyICLYCTGDQFQMLG-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.43
Rot. Bonds5

About 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine

6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine (PubChem CID 43755833) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine
PubChem CID43755833
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc(-c3ccccc3)s2)cn1
InChIInChI=1S/C17H16N2OS/c1-20-17-10-7-14(11-19-17)18-12-15-8-9-16(21-15)13-5-3-2-4-6-13/h2-11,18H,12H2,1H3
InChIKeyICLYCTGDQFQMLG-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
3-chloro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43757389
3-N-[(5-phenylthiophen-2-yl)methyl]benzene-1,3-diamine
CID 91804343
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 115703933
2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide
CID 110292490
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
2-[5-[[(6-ethoxy-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82885833
6-methoxy-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 62326998

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine (CID 43755833) is 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine is COc1ccc(NCc2ccc(-c3ccccc3)s2)cn1.
What is the InChIKey of 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine?
The InChIKey is ICLYCTGDQFQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-17-10-7-14(11-19-17)18-12-15-8-9-16(21-15)13-5-3-2-4-6-13/h2-11,18H,12H2,1H3.
What are the key properties of 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine?
6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine has a molecular weight of 296.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 43755833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).