N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine

C28H26N2OS — CID 139688385

IUPACN-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
SMILESCCN(CC#Cc1ccccc1)Cc1cccc(OCc2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C28H26N2OS/c1-2-30(16-7-11-23-8-4-3-5-9-23)20-24-10-6-12-27(18-24)31-21-25-13-15-29-28(19-25)26-14-17-32-22-26/h3-6,8-10,12-15,17-19,22H,2,16,20-21H2,1H3
InChIKeyIHUOGKCOJSXJDP-UHFFFAOYSA-N
MW438.60 g/mol
LogP6.26
Rot. Bonds8

About N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine

N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine (PubChem CID 139688385) has the molecular formula C28H26N2OS and a molecular weight of 438.60 g/mol. Its IUPAC name is N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
PubChem CID139688385
Molecular FormulaC28H26N2OS
Molecular Weight438.60 g/mol
Exact Mass438.18
IUPAC NameN-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
SMILESCCN(CC#Cc1ccccc1)Cc1cccc(OCc2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C28H26N2OS/c1-2-30(16-7-11-23-8-4-3-5-9-23)20-24-10-6-12-27(18-24)31-21-25-13-15-29-28(19-25)26-14-17-32-22-26/h3-6,8-10,12-15,17-19,22H,2,16,20-21H2,1H3
InChIKeyIHUOGKCOJSXJDP-UHFFFAOYSA-N
XLogP6.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine with MolForge

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Related Compounds

6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11673933
(NE)-N-[6-(2-morpholin-4-ylethoxy)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
CID 136415554
(NE)-N-(2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene)hydroxylamine
CID 136503356
2-(2-Methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662929
3-(3-Methoxyphenyl)-6-((pyridin-2-ylmethyl)thio)pyridazine
CID 7162189
7-Methoxy-3-(3-thienyl)isoquinoline
CID 44142278
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-thiophen-3-yl-ethyl]-pyridine
CID 44281936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
The IUPAC name of N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine (CID 139688385) is N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine is CCN(CC#Cc1ccccc1)Cc1cccc(OCc2ccnc(-c3ccsc3)c2)c1.
What is the InChIKey of N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
The InChIKey is IHUOGKCOJSXJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2OS/c1-2-30(16-7-11-23-8-4-3-5-9-23)20-24-10-6-12-27(18-24)31-21-25-13-15-29-28(19-25)26-14-17-32-22-26/h3-6,8-10,12-15,17-19,22H,2,16,20-21H2,1H3.
What are the key properties of N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine?
N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine has a molecular weight of 438.60 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-4-pyridinyl)methoxy]phenyl]methyl]prop-2-yn-1-amine is sourced from PubChem (CID 139688385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).