N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C23H18F2N4O2S — CID 59362454

IUPACN-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESNc1ncccc1-c1ccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)s1
InChIInChI=1S/C23H18F2N4O2S/c24-18-7-5-14(11-19(18)25)13-29-10-2-4-17(23(29)31)22(30)28-12-15-6-8-20(32-15)16-3-1-9-27-21(16)26/h1-11H,12-13H2,(H2,26,27)(H,28,30)
InChIKeyBLALYGPYBNVEMJ-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.81
Rot. Bonds6

About N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 59362454) has the molecular formula C23H18F2N4O2S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID59362454
Molecular FormulaC23H18F2N4O2S
Molecular Weight452.49 g/mol
Exact Mass452.11
IUPAC NameN-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESNc1ncccc1-c1ccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)s1
InChIInChI=1S/C23H18F2N4O2S/c24-18-7-5-14(11-19(18)25)13-29-10-2-4-17(23(29)31)22(30)28-12-15-6-8-20(32-15)16-3-1-9-27-21(16)26/h1-11H,12-13H2,(H2,26,27)(H,28,30)
InChIKeyBLALYGPYBNVEMJ-UHFFFAOYSA-N
XLogP3.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 59362454) is N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is Nc1ncccc1-c1ccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)s1.
What is the InChIKey of N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BLALYGPYBNVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2S/c24-18-7-5-14(11-19(18)25)13-29-10-2-4-17(23(29)31)22(30)28-12-15-6-8-20(32-15)16-3-1-9-27-21(16)26/h1-11H,12-13H2,(H2,26,27)(H,28,30).
What are the key properties of N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-amino-3-pyridinyl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59362454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).