N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide

C16H14N4OS — CID 113027751

IUPACN-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cn1)c1cccs1
InChIInChI=1S/C16H14N4OS/c21-16(14-4-2-8-22-14)20-15-6-5-13(11-19-15)18-10-12-3-1-7-17-9-12/h1-9,11,18H,10H2,(H,19,20,21)
InChIKeyUUHOWLSHVZYXBQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.40
Rot. Bonds5

About N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide

N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113027751) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113027751
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cn1)c1cccs1
InChIInChI=1S/C16H14N4OS/c21-16(14-4-2-8-22-14)20-15-6-5-13(11-19-15)18-10-12-3-1-7-17-9-12/h1-9,11,18H,10H2,(H,19,20,21)
InChIKeyUUHOWLSHVZYXBQ-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113026990
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
2-chloro-6-fluoro-N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]benzamide
CID 113027789
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
CID 36666034
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide (CID 113027751) is N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(NCc2cccnc2)cn1)c1cccs1.
What is the InChIKey of N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is UUHOWLSHVZYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(14-4-2-8-22-14)20-15-6-5-13(11-19-15)18-10-12-3-1-7-17-9-12/h1-9,11,18H,10H2,(H,19,20,21).
What are the key properties of N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113027751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).