N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide

C19H20N4OS — CID 70204881

IUPACN'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(CCNCc2cc[nH]c(=O)c2)cc1)c1cccs1
InChIInChI=1S/C19H20N4OS/c20-19(17-2-1-11-25-17)23-16-5-3-14(4-6-16)7-9-21-13-15-8-10-22-18(24)12-15/h1-6,8,10-12,21H,7,9,13H2,(H2,20,23)(H,22,24)
InChIKeyQBKYFIIWVWZVTK-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.81
Rot. Bonds7

About N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide

N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide (PubChem CID 70204881) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
PubChem CID70204881
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(CCNCc2cc[nH]c(=O)c2)cc1)c1cccs1
InChIInChI=1S/C19H20N4OS/c20-19(17-2-1-11-25-17)23-16-5-3-14(4-6-16)7-9-21-13-15-8-10-22-18(24)12-15/h1-6,8,10-12,21H,7,9,13H2,(H2,20,23)(H,22,24)
InChIKeyQBKYFIIWVWZVTK-UHFFFAOYSA-N
XLogP2.81
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethylamino]methyl]phenyl]acetamide
CID 18765781
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 71718237
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-phenylurea
CID 18976281
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
N'-[4-[2-(3-phenylprop-2-enylamino)ethyl]phenyl]thiophene-2-carboximidamide;hydroiodide
CID 69027776
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[3-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 10390299
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 18765747
1-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-3-[4-(dimethylamino)phenyl]urea;hydroiodide
CID 18765775
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(3,5-ditert-butyl-4-hydroxyphenoxy)acetamide;hydroiodide
CID 18765732
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
CID 142649841

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide (CID 70204881) is N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(CCNCc2cc[nH]c(=O)c2)cc1)c1cccs1.
What is the InChIKey of N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is QBKYFIIWVWZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-19(17-2-1-11-25-17)23-16-5-3-14(4-6-16)7-9-21-13-15-8-10-22-18(24)12-15/h1-6,8,10-12,21H,7,9,13H2,(H2,20,23)(H,22,24).
What are the key properties of N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide?
N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 352.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-[(2-oxo-1H-pyridin-4-yl)methylamino]ethyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 70204881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).