N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide

C19H20N4OS — CID 46961978

IUPACN-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN(Cc1ccccn1)Cc1ccccn1)c1cccs1
InChIInChI=1S/C19H20N4OS/c24-19(18-8-5-13-25-18)22-11-12-23(14-16-6-1-3-9-20-16)15-17-7-2-4-10-21-17/h1-10,13H,11-12,14-15H2,(H,22,24)
InChIKeyPZYIMIGXTOZSNE-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide

N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 46961978) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID46961978
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN(Cc1ccccn1)Cc1ccccn1)c1cccs1
InChIInChI=1S/C19H20N4OS/c24-19(18-8-5-13-25-18)22-11-12-23(14-16-6-1-3-9-20-16)15-17-7-2-4-10-21-17/h1-10,13H,11-12,14-15H2,(H,22,24)
InChIKeyPZYIMIGXTOZSNE-UHFFFAOYSA-N
XLogP2.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;N-[2-[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 171670990
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[2-[pyridin-2-ylmethyl(quinolin-4-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 175654389
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
[bis(pyridin-2-ylmethyl)amino]methyl thiophene-2-carboxylate
CID 174963457
CID 69258575
CID 69258575
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
N-[3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111191880
N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide (CID 46961978) is N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide is O=C(NCCN(Cc1ccccn1)Cc1ccccn1)c1cccs1.
What is the InChIKey of N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is PZYIMIGXTOZSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(18-8-5-13-25-18)22-11-12-23(14-16-6-1-3-9-20-16)15-17-7-2-4-10-21-17/h1-10,13H,11-12,14-15H2,(H,22,24).
What are the key properties of N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46961978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).